Pirmitegravir

CAT: 0607-BA1953-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1953-10Size:10 mg

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CAS Number

2245231-10-9

Molecular Formula

C27H31ClN4O3

Molecular Weight

495.01

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pirmitegravir

Pirmitegravir is under investigation in clinical trial NCT05869643 (A Clinical Trial of STP0404 in Treatment-naïve Adults With HIV-1 Infection).

CAS Number	2245231-10-9
PubChem CID	142435949
IUPAC Name	(2S)-2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
Molecular Formula	C27H31ClN4O3
Molecular Weight	495.0
XLogP	5
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	740

SMILES

CC1=C(N(C2=NC(=C(C(=C12)C3=CC=C(C=C3)Cl)[C@@H](C(=O)O)OC(C)(C)C)C)CC4=CN(N=C4)C)C

InChI

InChI=1S/C27H31ClN4O3/c1-15-17(3)32(14-18-12-29-31(7)13-18)25-21(15)23(19-8-10-20(28)11-9-19)22(16(2)30-25)24(26(33)34)35-27(4,5)6/h8-13,24H,14H2,1-7H3,(H,33,34)/t24-/m0/s1

InChIKey

GNRDGAWRAIJOSU-DEOSSOPVSA-N

Chemical Structure

2D Structure

CAS: 2245231-10-9

CID: 142435949

Formula: C27H31ClN4O3

MW: 495.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	495.0
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	494.2084686
Monoisotopic Mass	494.2084686
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	740
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
M35151-01	Pirmitegravir

Pirmitegravir

Chemical Information

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