IPSU

CAT: 0127-BUP09952-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09952-06Size:200 mg

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CAS Number

1373765-19-5

Purity

=95%

Smiles

COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1

Chemical Information

2,9-Diazaspiro[5.5]undecan-1-one, 2-(1H-indol-3-ylMethyl)-9-(4-Methoxy-2-pyriMidinyl)-

CAS Number	1373765-19-5
PubChem CID	56970858
IUPAC Name	2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
Molecular Formula	C23H27N5O2
Molecular Weight	405.5
XLogP	2.8
Topological Polar Surface Area	74.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	608

SMILES

COC1=NC(=NC=C1)N2CCC3(CCCN(C3=O)CC4=CNC5=CC=CC=C54)CC2

InChI

InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3

InChIKey

PCMHOSYCWRRHTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1373765-19-5

CID: 56970858

Formula: C23H27N5O2

MW: 405.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	405.5
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	405.21647512
Monoisotopic Mass	405.21647512
Topological Polar Surface Area	74.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA5673-10	IPSU
A21276-25	IPSU 25mg
A21276-5	IPSU 5mg
A21276-50	IPSU 50mg
A21276-200	IPSU 200mg
A21276-100	IPSU 100mg
A21276-10	IPSU 10mg
A21276-2	IPSU 2mg
A21276-10mM-D	IPSU 10mM * 1mL in DMSO

IPSU

Chemical Information

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