(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide

C26H29F2N5O2 — CID 171628073

IUPAC(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C26H29F2N5O2/c1-31-8-3-2-6-23(31)25(34)30-22-15-32(10-7-20(22)17-11-18(27)13-19(28)12-17)26(35)21-5-4-9-33-16-29-14-24(21)33/h4-5,9,11-14,16,20,22-23H,2-3,6-8,10,15H2,1H3,(H,30,34)/t20-,22+,23+/m0/s1
InChIKeyHRONQYAXXITPOV-MDNUFGMLSA-N
MW481.55 g/mol
LogP3.21
Rot. Bonds4

About (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide

(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 171628073) has the molecular formula C26H29F2N5O2 and a molecular weight of 481.55 g/mol. Its IUPAC name is (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
PubChem CID171628073
Molecular FormulaC26H29F2N5O2
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Name(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
SMILESCN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C26H29F2N5O2/c1-31-8-3-2-6-23(31)25(34)30-22-15-32(10-7-20(22)17-11-18(27)13-19(28)12-17)26(35)21-5-4-9-33-16-29-14-24(21)33/h4-5,9,11-14,16,20,22-23H,2-3,6-8,10,15H2,1H3,(H,30,34)/t20-,22+,23+/m0/s1
InChIKeyHRONQYAXXITPOV-MDNUFGMLSA-N
XLogP3.21
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-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)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
CID 171628120
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
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
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)-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
[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
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-yl]-3-methylbutanamide
CID 171628182

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of (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) is (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide is CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is HRONQYAXXITPOV-MDNUFGMLSA-N. The full InChI is InChI=1S/C26H29F2N5O2/c1-31-8-3-2-6-23(31)25(34)30-22-15-32(10-7-20(22)17-11-18(27)13-19(28)12-17)26(35)21-5-4-9-33-16-29-14-24(21)33/h4-5,9,11-14,16,20,22-23H,2-3,6-8,10,15H2,1H3,(H,30,34)/t20-,22+,23+/m0/s1.
What are the key properties of (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide?
(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 171628073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).