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

C32H35N5O2 — CID 145109096

IUPACN-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc3ncccc23)cc2c(C(C)C)ncn12
InChIInChI=1S/C32H35N5O2/c1-5-6-7-10-22-15-21(4)36-31(38)26(22)18-34-32(39)29-17-23(16-28-30(20(2)3)35-19-37(28)29)24-11-8-13-27-25(24)12-9-14-33-27/h8-9,11-17,19-20H,5-7,10,18H2,1-4H3,(H,34,39)(H,36,38)
InChIKeyMBPCAXFILASXQH-UHFFFAOYSA-N
MW521.67 g/mol
LogP6.33
Rot. Bonds9

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

N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 145109096) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID145109096
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC NameN-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc3ncccc23)cc2c(C(C)C)ncn12
InChIInChI=1S/C32H35N5O2/c1-5-6-7-10-22-15-21(4)36-31(38)26(22)18-34-32(39)29-17-23(16-28-30(20(2)3)35-19-37(28)29)24-11-8-13-27-25(24)12-9-14-33-27/h8-9,11-17,19-20H,5-7,10,18H2,1-4H3,(H,34,39)(H,36,38)
InChIKeyMBPCAXFILASXQH-UHFFFAOYSA-N
XLogP6.33
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-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-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 145109096) is N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide is CCCCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2cccc3ncccc23)cc2c(C(C)C)ncn12.
What is the InChIKey of N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is MBPCAXFILASXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-5-6-7-10-22-15-21(4)36-31(38)26(22)18-34-32(39)29-17-23(16-28-30(20(2)3)35-19-37(28)29)24-11-8-13-27-25(24)12-9-14-33-27/h8-9,11-17,19-20H,5-7,10,18H2,1-4H3,(H,34,39)(H,36,38).
What are the key properties of N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide?
N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 6.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-4-pentyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-7-quinolin-5-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 145109096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).