2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

C19H19ClN6O — CID 138522386

IUPAC2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ccnc(N)c34)[nH]c2c1
InChIInChI=1S/C19H19ClN6O/c1-9(2)18-25-15(16-17(21)23-6-7-26(16)18)14-13(20)11-5-4-10(19(27)22-3)8-12(11)24-14/h4-9,24H,1-3H3,(H2,21,23)(H,22,27)
InChIKeyBQUHSWVUQMWBKQ-UHFFFAOYSA-N
MW382.86 g/mol
LogP3.60
Rot. Bonds3

About 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide

2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (PubChem CID 138522386) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
PubChem CID138522386
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide
SMILESCNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ccnc(N)c34)[nH]c2c1
InChIInChI=1S/C19H19ClN6O/c1-9(2)18-25-15(16-17(21)23-6-7-26(16)18)14-13(20)11-5-4-10(19(27)22-3)8-12(11)24-14/h4-9,24H,1-3H3,(H2,21,23)(H,22,27)
InChIKeyBQUHSWVUQMWBKQ-UHFFFAOYSA-N
XLogP3.60
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The IUPAC name of 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide (CID 138522386) is 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide.
What is the SMILES notation for 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The canonical SMILES for 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is CNC(=O)c1ccc2c(Cl)c(-c3nc(C(C)C)n4ccnc(N)c34)[nH]c2c1.
What is the InChIKey of 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
The InChIKey is BQUHSWVUQMWBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-9(2)18-25-15(16-17(21)23-6-7-26(16)18)14-13(20)11-5-4-10(19(27)22-3)8-12(11)24-14/h4-9,24H,1-3H3,(H2,21,23)(H,22,27).
What are the key properties of 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide?
2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide has a molecular weight of 382.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)-3-chloro-N-methyl-1H-indole-6-carboxamide is sourced from PubChem (CID 138522386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).