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

C31H39N7O2 — CID 121440181

IUPACN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c(C(C)C)ncn12
InChIInChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-30(39)25(22)18-33-31(40)27-16-24(15-26-29(20(2)3)34-19-38(26)27)23-8-9-28(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,40)(H,35,39)
InChIKeyKRVKRNXQXLWOCF-UHFFFAOYSA-N
MW541.70 g/mol
LogP4.15
Rot. Bonds8

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

N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121440181) has the molecular formula C31H39N7O2 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID121440181
Molecular FormulaC31H39N7O2
Molecular Weight541.70 g/mol
Exact Mass541.32
IUPAC NameN-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c(C(C)C)ncn12
InChIInChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-30(39)25(22)18-33-31(40)27-16-24(15-26-29(20(2)3)34-19-38(26)27)23-8-9-28(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,40)(H,35,39)
InChIKeyKRVKRNXQXLWOCF-UHFFFAOYSA-N
XLogP4.15
TPSA98.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.70
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 121440181) is N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-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-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc2c(C(C)C)ncn12.
What is the InChIKey of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is KRVKRNXQXLWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O2/c1-6-7-22-14-21(4)35-30(39)25(22)18-33-31(40)27-16-24(15-26-29(20(2)3)34-19-38(26)27)23-8-9-28(32-17-23)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,40)(H,35,39).
What are the key properties of N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 541.70 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121440181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).