3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide

C28H30F2N6O3 — CID 134278452

IUPAC3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCc1c(OC(F)F)nn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3ncc(C)n3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H30F2N6O3/c1-16-12-20(14-36-17(2)13-31-24(16)36)27(38)35-11-10-22(21(15-35)19-8-6-5-7-9-19)32-25(37)23-18(3)26(33-34(23)4)39-28(29)30/h5-9,12-14,21-22,28H,10-11,15H2,1-4H3,(H,32,37)/t21-,22-/m1/s1
InChIKeyOCZYTPUODFOEON-FGZHOGPDSA-N
MW536.58 g/mol
LogP4.02
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide

3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide (PubChem CID 134278452) has the molecular formula C28H30F2N6O3 and a molecular weight of 536.58 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
PubChem CID134278452
Molecular FormulaC28H30F2N6O3
Molecular Weight536.58 g/mol
Exact Mass536.23
IUPAC Name3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide
SMILESCc1c(OC(F)F)nn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3ncc(C)n3c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C28H30F2N6O3/c1-16-12-20(14-36-17(2)13-31-24(16)36)27(38)35-11-10-22(21(15-35)19-8-6-5-7-9-19)32-25(37)23-18(3)26(33-34(23)4)39-28(29)30/h5-9,12-14,21-22,28H,10-11,15H2,1-4H3,(H,32,37)/t21-,22-/m1/s1
InChIKeyOCZYTPUODFOEON-FGZHOGPDSA-N
XLogP4.02
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 134278581
N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 134278938
2-chloro-N-[(3S,4R)-1-(5-chloro-6-methoxypyridine-3-carbonyl)-3-phenylpiperidin-4-yl]benzamide
CID 134279035
2-(difluoromethoxy)-N-[(3S,4S)-1-(5,6-dimethoxypyridine-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]piperidin-4-yl]benzamide
CID 134278768
2-(2,2-difluoroethyl)-N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methylpyrazole-3-carboxamide
CID 134278367
2-methylsulfonyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]benzamide
CID 134278239
N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
CID 134607378
5-methyl-N-[(3S,4R)-3-phenyl-1-(quinoxaline-6-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 134278412
6-chloro-N-[(3S,4R)-1-(8-chloroquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]pyridine-3-carboxamide
CID 134278521
N-[(3S,4R)-1-(8-methoxyquinoxaline-6-carbonyl)-3-phenylpiperidin-4-yl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134278487
N-[(3S,4R)-1-(4-methyl-1-propan-2-ylsulfonylpyrrole-3-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278572
N-[(3S,4R)-1-(1H-indazole-5-carbonyl)-3-phenylpiperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278691

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide (CID 134278452) is 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide is Cc1c(OC(F)F)nn(C)c1C(=O)N[C@@H]1CCN(C(=O)c2cc(C)c3ncc(C)n3c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
The InChIKey is OCZYTPUODFOEON-FGZHOGPDSA-N. The full InChI is InChI=1S/C28H30F2N6O3/c1-16-12-20(14-36-17(2)13-31-24(16)36)27(38)35-11-10-22(21(15-35)19-8-6-5-7-9-19)32-25(37)23-18(3)26(33-34(23)4)39-28(29)30/h5-9,12-14,21-22,28H,10-11,15H2,1-4H3,(H,32,37)/t21-,22-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide?
3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide has a molecular weight of 536.58 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(3S,4R)-1-(3,8-dimethylimidazo[1,2-a]pyridine-6-carbonyl)-3-phenylpiperidin-4-yl]-1,4-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 134278452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).