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

C26H24ClF4N5O3 — CID 171627857

IUPACN-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESC[C@]1(NC(=O)C(F)(F)F)CCN([C@@H]2CN(C(=O)c3cccn4cncc34)CC[C@H]2c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C26H24ClF4N5O3/c1-25(33-23(38)26(29,30)31)5-8-36(24(25)39)21-13-34(7-4-18(21)15-9-16(27)11-17(28)10-15)22(37)19-3-2-6-35-14-32-12-20(19)35/h2-3,6,9-12,14,18,21H,4-5,7-8,13H2,1H3,(H,33,38)/t18-,21+,25-/m0/s1
InChIKeyJMEVGPLYRQRDKD-HCYUJWNOSA-N
MW565.96 g/mol
LogP3.79
Rot. Bonds4

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

N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 171627857) has the molecular formula C26H24ClF4N5O3 and a molecular weight of 565.96 g/mol. Its IUPAC name is N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
PubChem CID171627857
Molecular FormulaC26H24ClF4N5O3
Molecular Weight565.96 g/mol
Exact Mass565.15
IUPAC NameN-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide
SMILESC[C@]1(NC(=O)C(F)(F)F)CCN([C@@H]2CN(C(=O)c3cccn4cncc34)CC[C@H]2c2cc(F)cc(Cl)c2)C1=O
InChIInChI=1S/C26H24ClF4N5O3/c1-25(33-23(38)26(29,30)31)5-8-36(24(25)39)21-13-34(7-4-18(21)15-9-16(27)11-17(28)10-15)22(37)19-3-2-6-35-14-32-12-20(19)35/h2-3,6,9-12,14,18,21H,4-5,7-8,13H2,1H3,(H,33,38)/t18-,21+,25-/m0/s1
InChIKeyJMEVGPLYRQRDKD-HCYUJWNOSA-N
XLogP3.79
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.96
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide (CID 171627857) is N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide is C[C@]1(NC(=O)C(F)(F)F)CCN([C@@H]2CN(C(=O)c3cccn4cncc34)CC[C@H]2c2cc(F)cc(Cl)c2)C1=O.
What is the InChIKey of N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JMEVGPLYRQRDKD-HCYUJWNOSA-N. The full InChI is InChI=1S/C26H24ClF4N5O3/c1-25(33-23(38)26(29,30)31)5-8-36(24(25)39)21-13-34(7-4-18(21)15-9-16(27)11-17(28)10-15)22(37)19-3-2-6-35-14-32-12-20(19)35/h2-3,6,9-12,14,18,21H,4-5,7-8,13H2,1H3,(H,33,38)/t18-,21+,25-/m0/s1.
What are the key properties of N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide?
N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 565.96 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-oxopyrrolidin-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171627857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).