7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide

C21H23ClN4O3 — CID 121450981

IUPAC7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c(C3CCCC3)ncn12
InChIInChI=1S/C21H23ClN4O3/c1-12-7-18(29-2)15(20(27)25-12)10-23-21(28)17-9-14(22)8-16-19(24-11-26(16)17)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyNDKYGSFYQWJTKB-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.58
Rot. Bonds5

About 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide

7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121450981) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide
PubChem CID121450981
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c(C3CCCC3)ncn12
InChIInChI=1S/C21H23ClN4O3/c1-12-7-18(29-2)15(20(27)25-12)10-23-21(28)17-9-14(22)8-16-19(24-11-26(16)17)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyNDKYGSFYQWJTKB-UHFFFAOYSA-N
XLogP3.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide (CID 121450981) is 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc2c(C3CCCC3)ncn12.
What is the InChIKey of 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is NDKYGSFYQWJTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-12-7-18(29-2)15(20(27)25-12)10-23-21(28)17-9-14(22)8-16-19(24-11-26(16)17)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?
7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopentyl-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121450981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).