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

C25H24ClF4N5O3 — CID 171627989

IUPACN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C25H24ClF4N5O3/c1-24(2,33-23(38)25(28,29)30)22(37)32-19-12-34(7-5-17(19)14-8-15(26)10-16(27)9-14)21(36)18-4-3-6-35-13-31-11-20(18)35/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,32,37)(H,33,38)/t17-,19+/m0/s1
InChIKeyZKQVEJWMBAGHHF-PKOBYXMFSA-N
MW553.94 g/mol
LogP3.70
Rot. Bonds5

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

N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (PubChem CID 171627989) has the molecular formula C25H24ClF4N5O3 and a molecular weight of 553.94 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]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
PubChem CID171627989
Molecular FormulaC25H24ClF4N5O3
Molecular Weight553.94 g/mol
Exact Mass553.15
IUPAC NameN-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
SMILESCC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1
InChIInChI=1S/C25H24ClF4N5O3/c1-24(2,33-23(38)25(28,29)30)22(37)32-19-12-34(7-5-17(19)14-8-15(26)10-16(27)9-14)21(36)18-4-3-6-35-13-31-11-20(18)35/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,32,37)(H,33,38)/t17-,19+/m0/s1
InChIKeyZKQVEJWMBAGHHF-PKOBYXMFSA-N
XLogP3.70
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.94
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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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]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The IUPAC name of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide (CID 171627989) is N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide.
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]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The canonical SMILES for N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is CC(C)(NC(=O)C(F)(F)F)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(Cl)c1.
What is the InChIKey of N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
The InChIKey is ZKQVEJWMBAGHHF-PKOBYXMFSA-N. The full InChI is InChI=1S/C25H24ClF4N5O3/c1-24(2,33-23(38)25(28,29)30)22(37)32-19-12-34(7-5-17(19)14-8-15(26)10-16(27)9-14)21(36)18-4-3-6-35-13-31-11-20(18)35/h3-4,6,8-11,13,17,19H,5,7,12H2,1-2H3,(H,32,37)(H,33,38)/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]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide?
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide has a molecular weight of 553.94 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide is sourced from PubChem (CID 171627989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).