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

C20H23ClN4O3 — CID 121451112

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

1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121451112) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 121451112
• Molecular Formula: C20H23ClN4O3
• Molecular Weight: 402.88 g/mol
• Exact Mass: 402.15
• IUPAC Name: 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide
• SMILES: CCC(C)c1ncn2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc(Cl)cc12
• InChI: InChI=1S/C20H23ClN4O3/c1-5-11(2)18-15-7-13(21)8-16(25(15)10-23-18)20(27)22-9-14-17(28-4)6-12(3)24-19(14)26/h6-8,10-11H,5,9H2,1-4H3,(H,22,27)(H,24,26)
• InChIKey: QNVGLNLACAREFJ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.88
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide (CID 121451112) is 1-butan-2-yl-7-chloro-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 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide is CCC(C)c1ncn2c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc(Cl)cc12.

What is the InChIKey of 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?

The InChIKey is QNVGLNLACAREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-5-11(2)18-15-7-13(21)8-16(25(15)10-23-18)20(27)22-9-14-17(28-4)6-12(3)24-19(14)26/h6-8,10-11H,5,9H2,1-4H3,(H,22,27)(H,24,26).

What are the key properties of 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide?

1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-7-chloro-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121451112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).