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

C27H27N5O3 — CID 171627859

IUPACN-[(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
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1)c1cc2c([nH]1)CCOC2
InChIInChI=1S/C27H27N5O3/c33-26(23-13-19-16-35-12-9-22(19)29-23)30-24-15-31(11-8-20(24)18-5-2-1-3-6-18)27(34)21-7-4-10-32-17-28-14-25(21)32/h1-7,10,13-14,17,20,24,29H,8-9,11-12,15-16H2,(H,30,33)/t20-,24+/m0/s1
InChIKeyHZXNJOJCZOSJTF-GBXCKJPGSA-N
MW469.55 g/mol
LogP3.16
Rot. Bonds4

About 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

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 (PubChem CID 171627859) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID171627859
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-[(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
SMILESO=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1)c1cc2c([nH]1)CCOC2
InChIInChI=1S/C27H27N5O3/c33-26(23-13-19-16-35-12-9-22(19)29-23)30-24-15-31(11-8-20(24)18-5-2-1-3-6-18)27(34)21-7-4-10-32-17-28-14-25(21)32/h1-7,10,13-14,17,20,24,29H,8-9,11-12,15-16H2,(H,30,33)/t20-,24+/m0/s1
InChIKeyHZXNJOJCZOSJTF-GBXCKJPGSA-N
XLogP3.16
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
CID 171628120
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
(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
(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
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
(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
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-[(3S)-3-cyano-3-methylpyrrolidin-1-yl]acetamide
CID 171628172
[4-(3,4-difluorophenyl)piperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 171627970
N-[(3S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 171627868
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1)c1cc2c([nH]1)CCOC2.
What is the InChIKey of 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?
The InChIKey is HZXNJOJCZOSJTF-GBXCKJPGSA-N. The full InChI is InChI=1S/C27H27N5O3/c33-26(23-13-19-16-35-12-9-22(19)29-23)30-24-15-31(11-8-20(24)18-5-2-1-3-6-18)27(34)21-7-4-10-32-17-28-14-25(21)32/h1-7,10,13-14,17,20,24,29H,8-9,11-12,15-16H2,(H,30,33)/t20-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 469.55 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171627859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).