(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C24H32F3N5O3 — CID 171628245

IUPAC(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)[C@@H]1CCN(C(=O)c2cccn3cncc23)C[C@H]1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C24H32F3N5O3/c1-14(2)15-8-10-31(21(34)16-7-6-9-32-13-28-11-18(16)32)12-17(15)29-20(33)19(23(3,4)5)30-22(35)24(25,26)27/h6-7,9,11,13-15,17,19H,8,10,12H2,1-5H3,(H,29,33)(H,30,35)/t15-,17+,19+/m0/s1
InChIKeyXYVNSYGZSQDKHM-KVSKMBFKSA-N
MW495.55 g/mol
LogP3.03
Rot. Bonds5

About (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 171628245) has the molecular formula C24H32F3N5O3 and a molecular weight of 495.55 g/mol. Its IUPAC name is (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID171628245
Molecular FormulaC24H32F3N5O3
Molecular Weight495.55 g/mol
Exact Mass495.25
IUPAC Name(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCC(C)[C@@H]1CCN(C(=O)c2cccn3cncc23)C[C@H]1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C24H32F3N5O3/c1-14(2)15-8-10-31(21(34)16-7-6-9-32-13-28-11-18(16)32)12-17(15)29-20(33)19(23(3,4)5)30-22(35)24(25,26)27/h6-7,9,11,13-15,17,19H,8,10,12H2,1-5H3,(H,29,33)(H,30,35)/t15-,17+,19+/m0/s1
InChIKeyXYVNSYGZSQDKHM-KVSKMBFKSA-N
XLogP3.03
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide with MolForge

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Related Compounds

(2R)-N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171628213
tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 171628109
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
CID 171628250
N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
CID 171628120
N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide
CID 171628096
(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide
CID 171628048
(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
CID 171628073
N-[1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 171628019
N-[(3S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 171627868
tert-butyl (2R)-4,4-difluoro-2-[[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 171628219
[4-(3,4-difluorophenyl)piperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 171627970
N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxamide
CID 171627859

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 171628245) is (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is CC(C)[C@@H]1CCN(C(=O)c2cccn3cncc23)C[C@H]1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is XYVNSYGZSQDKHM-KVSKMBFKSA-N. The full InChI is InChI=1S/C24H32F3N5O3/c1-14(2)15-8-10-31(21(34)16-7-6-9-32-13-28-11-18(16)32)12-17(15)29-20(33)19(23(3,4)5)30-22(35)24(25,26)27/h6-7,9,11,13-15,17,19H,8,10,12H2,1-5H3,(H,29,33)(H,30,35)/t15-,17+,19+/m0/s1.
What are the key properties of (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 495.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 171628245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).