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CAT: 0926-RBE79270-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RBE79270-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2541792-70-3

Smiles

CC (C) (C) N1CCC (C1=O) N

Molecular Formula

C19H17FN6O

Molecular Weight

364.4 g/mol

Controlled

Chemical Information

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CAS Number	2541792-70-3
PubChem CID	155671000
IUPAC Name	6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
Molecular Formula	C19H17FN6O
Molecular Weight	364.4
XLogP	2.5
Topological Polar Surface Area	88.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	534

SMILES

CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CC4=C(N3)C=C(C=C4)F

InChI

InChI=1S/C19H17FN6O/c1-11(2)26-10-21-25-18(26)14-4-3-5-17(23-14)24-19(27)16-8-12-6-7-13(20)9-15(12)22-16/h3-11,22H,1-2H3,(H,23,24,27)

InChIKey

LYUQNMNUBOUCBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2541792-70-3

CID: 155671000

Formula: C19H17FN6O

MW: 364.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.4
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	364.14478735
Monoisotopic Mass	364.14478735
Topological Polar Surface Area	88.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	534
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