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

C26H28N4O3 — CID 121450956

IUPACN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c(C(C)C)ncn12
InChIInChI=1S/C26H28N4O3/c1-5-33-23-11-17(4)29-25(31)20(23)14-27-26(32)22-13-19(18-9-7-6-8-10-18)12-21-24(16(2)3)28-15-30(21)22/h6-13,15-16H,5,14H2,1-4H3,(H,27,32)(H,29,31)
InChIKeyQUXGZDAHBHQYIN-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.45
Rot. Bonds7

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

N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 121450956) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID121450956
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide
SMILESCCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c(C(C)C)ncn12
InChIInChI=1S/C26H28N4O3/c1-5-33-23-11-17(4)29-25(31)20(23)14-27-26(32)22-13-19(18-9-7-6-8-10-18)12-21-24(16(2)3)28-15-30(21)22/h6-13,15-16H,5,14H2,1-4H3,(H,27,32)(H,29,31)
InChIKeyQUXGZDAHBHQYIN-UHFFFAOYSA-N
XLogP4.45
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 118709778
1-[2-(dimethylamino)-4-pyridinyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethenyl)indolizine-7-carboxamide
CID 139475563
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-1-(1-methyl-1H-indol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 17573625
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039167
N-[[1-(3-methoxypropyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041479
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041480
1-[(2R)-butan-2-yl]-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-7-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,5-a]pyridine-5-carboxamide
CID 168284024
US9718828, Example, 291
CID 71223410
US9758524, Example 75
CID 90186173
N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 156907562
N-[(6-methoxy-4-methyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 156907586
1H-Pyrrole-2-acetamide, 1-methyl-5-(4-methylbenzoyl)-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-
CID 3062666

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide (CID 121450956) is N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is CCOc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccccc2)cc2c(C(C)C)ncn12.
What is the InChIKey of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is QUXGZDAHBHQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-5-33-23-11-17(4)29-25(31)20(23)14-27-26(32)22-13-19(18-9-7-6-8-10-18)12-21-24(16(2)3)28-15-30(21)22/h6-13,15-16H,5,14H2,1-4H3,(H,27,32)(H,29,31).
What are the key properties of N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide?
N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-7-phenyl-1-propan-2-ylimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 121450956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).