N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

C24H19N5O — CID 25160141

IUPACN-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1nccc2ccccc12)c1nc(Cc2cccnc2)n2ccccc12
InChIInChI=1S/C24H19N5O/c30-24(27-16-20-19-8-2-1-7-18(19)10-12-26-20)23-21-9-3-4-13-29(21)22(28-23)14-17-6-5-11-25-15-17/h1-13,15H,14,16H2,(H,27,30)
InChIKeyXVVWVJXPDUUGLR-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.80
Rot. Bonds5

About N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 25160141) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID25160141
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC NameN-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1nccc2ccccc12)c1nc(Cc2cccnc2)n2ccccc12
InChIInChI=1S/C24H19N5O/c30-24(27-16-20-19-8-2-1-7-18(19)10-12-26-20)23-21-9-3-4-13-29(21)22(28-23)14-17-6-5-11-25-15-17/h1-13,15H,14,16H2,(H,27,30)
InChIKeyXVVWVJXPDUUGLR-UHFFFAOYSA-N
XLogP3.80
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 25160141) is N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1nccc2ccccc12)c1nc(Cc2cccnc2)n2ccccc12.
What is the InChIKey of N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is XVVWVJXPDUUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c30-24(27-16-20-19-8-2-1-7-18(19)10-12-26-20)23-21-9-3-4-13-29(21)22(28-23)14-17-6-5-11-25-15-17/h1-13,15H,14,16H2,(H,27,30).
What are the key properties of N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-1-ylmethyl)-3-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 25160141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).