N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

C29H31F3N6O4 — CID 121451021

About N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide

N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121451021) has the molecular formula C29H31F3N6O4 and a molecular weight of 584.60 g/mol. Its IUPAC name is N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 121451021
• Molecular Formula: C29H31F3N6O4
• Molecular Weight: 584.60 g/mol
• Exact Mass: 584.24
• IUPAC Name: N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
• SMILES: Cc1cc(OCC(F)(F)F)c(CNC(=O)c2cc(-c3ccc(N4CCOCC4)nc3)cc3c(C(C)C)ncn23)c(=O)[nH]1
• InChI: InChI=1S/C29H31F3N6O4/c1-17(2)26-22-11-20(19-4-5-25(33-13-19)37-6-8-41-9-7-37)12-23(38(22)16-35-26)28(40)34-14-21-24(42-15-29(30,31)32)10-18(3)36-27(21)39/h4-5,10-13,16-17H,6-9,14-15H2,1-3H3,(H,34,40)(H,36,39)
• InChIKey: PVJUTZXXHYHXML-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 113.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.60
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 121451021) is N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is Cc1cc(OCC(F)(F)F)c(CNC(=O)c2cc(-c3ccc(N4CCOCC4)nc3)cc3c(C(C)C)ncn23)c(=O)[nH]1.

What is the InChIKey of N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

The InChIKey is PVJUTZXXHYHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O4/c1-17(2)26-22-11-20(19-4-5-25(33-13-19)37-6-8-41-9-7-37)12-23(38(22)16-35-26)28(40)34-14-21-24(42-15-29(30,31)32)10-18(3)36-27(21)39/h4-5,10-13,16-17H,6-9,14-15H2,1-3H3,(H,34,40)(H,36,39).

What are the key properties of N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?

N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 584.60 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-methyl-2-oxo-4-(2,2,2-trifluoroethoxy)-1H-pyridin-3-yl]methyl]-7-(6-morpholin-4-yl-3-pyridinyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121451021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).