N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide

C23H21FN6O — CID 131670915

IUPACN-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(C2CCCN2c2ncccn2)n2ccccc12
InChIInChI=1S/C23H21FN6O/c24-17-9-7-16(8-10-17)15-27-22(31)20-18-5-1-2-13-29(18)21(28-20)19-6-3-14-30(19)23-25-11-4-12-26-23/h1-2,4-5,7-13,19H,3,6,14-15H2,(H,27,31)
InChIKeyYNSMLRMVOKDODW-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.53
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 131670915) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID131670915
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nc(C2CCCN2c2ncccn2)n2ccccc12
InChIInChI=1S/C23H21FN6O/c24-17-9-7-16(8-10-17)15-27-22(31)20-18-5-1-2-13-29(18)21(28-20)19-6-3-14-30(19)23-25-11-4-12-26-23/h1-2,4-5,7-13,19H,3,6,14-15H2,(H,27,31)
InChIKeyYNSMLRMVOKDODW-UHFFFAOYSA-N
XLogP3.53
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 131673537
3-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69006617
N-benzyl-3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide
CID 131670904
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
N-(2-phenylethyl)-3-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]imidazo[1,5-a]pyridine-1-carboxamide
CID 131670927
3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110609993
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281
N-(2-benzamidoethyl)-3-cyclohexylimidazo[1,5-a]pyridine-1-carboxamide
CID 110630596
3-cyclopropyl-N-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110633499
(3R)-N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95826652
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-2-[1-(pyridine-2-carbonyl)piperidin-2-yl]pyrimidine-4-carboxamide
CID 54712010

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 131670915) is N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1ccc(F)cc1)c1nc(C2CCCN2c2ncccn2)n2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is YNSMLRMVOKDODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c24-17-9-7-16(8-10-17)15-27-22(31)20-18-5-1-2-13-29(18)21(28-20)19-6-3-14-30(19)23-25-11-4-12-26-23/h1-2,4-5,7-13,19H,3,6,14-15H2,(H,27,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(1-pyrimidin-2-ylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 131670915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).