3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide

C23H21FN4O3S — CID 52935857

IUPAC3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCC[C@H](NC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21FN4O3S/c1-3-19(16-10-11-25-21(13-16)32(2,30)31)27-23(29)18-5-4-12-28-20(18)14-26-22(28)15-6-8-17(24)9-7-15/h4-14,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyUOEREQKCXRAWME-IBGZPJMESA-N
MW452.51 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide

3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide (PubChem CID 52935857) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide
PubChem CID52935857
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide
SMILESCC[C@H](NC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H21FN4O3S/c1-3-19(16-10-11-25-21(13-16)32(2,30)31)27-23(29)18-5-4-12-28-20(18)14-26-22(28)15-6-8-17(24)9-7-15/h4-14,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyUOEREQKCXRAWME-IBGZPJMESA-N
XLogP3.82
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]imidazo[1,5-a]pyridine-8-carboxamide
CID 52935852
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598
tert-butyl N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]carbamate
CID 59278290
N-[1-(2-methylsulfonyl-4-pyridinyl)butyl]pyridine-4-carboxamide
CID 140582673
(2-bromo-4-pyridinyl)methanamine;N-[(2-bromo-4-pyridinyl)methyl]-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxamide;deuterio(fluoro)methane;3-(4-fluorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 161371376
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-2-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278500
1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)propyl]pyrrolo[2,3-c]pyridine-4-carboxamide
CID 75964745
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84738796

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide (CID 52935857) is 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide is CC[C@H](NC(=O)c1cccn2c(-c3ccc(F)cc3)ncc12)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide?
The InChIKey is UOEREQKCXRAWME-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-3-19(16-10-11-25-21(13-16)32(2,30)31)27-23(29)18-5-4-12-28-20(18)14-26-22(28)15-6-8-17(24)9-7-15/h4-14,19H,3H2,1-2H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide?
3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]imidazo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 52935857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).