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

C27H30N4O3 — CID 145109095

IUPACN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(O)c(C)c2)cc2c(C(C)C)ncn12
InChIInChI=1S/C27H30N4O3/c1-6-18-10-17(5)30-26(33)21(18)13-28-27(34)23-12-20(19-7-8-24(32)16(4)9-19)11-22-25(15(2)3)29-14-31(22)23/h7-12,14-15,32H,6,13H2,1-5H3,(H,28,34)(H,30,33)
InChIKeyGFPHMNZJAKVYGC-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.63
Rot. Bonds6

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

N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 145109095) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID145109095
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(O)c(C)c2)cc2c(C(C)C)ncn12
InChIInChI=1S/C27H30N4O3/c1-6-18-10-17(5)30-26(33)21(18)13-28-27(34)23-12-20(19-7-8-24(32)16(4)9-19)11-22-25(15(2)3)29-14-31(22)23/h7-12,14-15,32H,6,13H2,1-5H3,(H,28,34)(H,30,33)
InChIKeyGFPHMNZJAKVYGC-UHFFFAOYSA-N
XLogP4.63
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 145109095) is N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is CCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(O)c(C)c2)cc2c(C(C)C)ncn12.
What is the InChIKey of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is GFPHMNZJAKVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-6-18-10-17(5)30-26(33)21(18)13-28-27(34)23-12-20(19-7-8-24(32)16(4)9-19)11-22-25(15(2)3)29-14-31(22)23/h7-12,14-15,32H,6,13H2,1-5H3,(H,28,34)(H,30,33).
What are the key properties of N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-(4-hydroxy-3-methylphenyl)-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 145109095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).