N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide

C24H23ClF4N4O2 — CID 171628294

IUPACN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C24H23ClF4N4O2/c1-23(2,24(27,28)29)22(35)31-19-12-32(7-5-17(19)14-8-15(25)10-16(26)9-14)21(34)18-4-3-6-33-13-30-11-20(18)33/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,31,35)/t17-,19+/m0/s1
InChIKeyPJLLFKXTVQMVTQ-PKOBYXMFSA-N
MW510.92 g/mol
LogP4.83
Rot. Bonds4

About N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide

N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide (PubChem CID 171628294) has the molecular formula C24H23ClF4N4O2 and a molecular weight of 510.92 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide
PubChem CID171628294
Molecular FormulaC24H23ClF4N4O2
Molecular Weight510.92 g/mol
Exact Mass510.14
IUPAC NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C24H23ClF4N4O2/c1-23(2,24(27,28)29)22(35)31-19-12-32(7-5-17(19)14-8-15(25)10-16(26)9-14)21(34)18-4-3-6-33-13-30-11-20(18)33/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,31,35)/t17-,19+/m0/s1
InChIKeyPJLLFKXTVQMVTQ-PKOBYXMFSA-N
XLogP4.83
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolo[2,3-d]pyrimidin-6-one deriv. 26n
CID 5329242
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
7-chloro-2-ethyl-N-[[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234864
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71293843
MtTMPK-IN-7
CID 154573942
N-[(1-butylpiperidin-4-yl)methyl]-6-chloroimidazo[1,2-a]pyridine-8-carboxamide
CID 9950216
5-chloro-N-methyl-6-(4-(6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)piperazin-1-yl)nicotinamide
CID 10410905
Imidazo(1,2-a)pyridine-8-carboxamide, 5-amino-6-chloro-2-methyl-N-((1-(2-methylpropyl)-4-piperidinyl)methyl)-
CID 10429706
5-amino-6-chloro-2-methyl-N-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 11174673
7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid-4-fluoro-benzylamide
CID 44475665
1-[7-(3-Chloro-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-piperidin-1-yl-methanone
CID 44475668

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The IUPAC name of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide (CID 171628294) is N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide is CC(C)(C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
The InChIKey is PJLLFKXTVQMVTQ-PKOBYXMFSA-N. The full InChI is InChI=1S/C24H23ClF4N4O2/c1-23(2,24(27,28)29)22(35)31-19-12-32(7-5-17(19)14-8-15(25)10-16(26)9-14)21(34)18-4-3-6-33-13-30-11-20(18)33/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,31,35)/t17-,19+/m0/s1.
What are the key properties of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide?
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide has a molecular weight of 510.92 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3,3,3-trifluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 171628294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).