4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

C26H29F5N4O2 — CID 169126717

IUPAC4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC2(CC2)C1)c1cccc(C(F)F)c1F
InChIInChI=1S/C26H29F5N4O2/c1-14(16-3-2-4-17(21(16)27)22(28)29)33-23(37)18-13-35(26(8-9-26)24(30)31)20(36)11-19(18)34-15-5-10-32-25(12-15)6-7-25/h2-4,11,13-15,22,24,32,34H,5-10,12H2,1H3,(H,33,37)/t14-,15+/m1/s1
InChIKeyYFIVZBGIFUUEHN-CABCVRRESA-N
MW524.53 g/mol
LogP4.87
Rot. Bonds8

About 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide

4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 169126717) has the molecular formula C26H29F5N4O2 and a molecular weight of 524.53 g/mol. Its IUPAC name is 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID169126717
Molecular FormulaC26H29F5N4O2
Molecular Weight524.53 g/mol
Exact Mass524.22
IUPAC Name4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC2(CC2)C1)c1cccc(C(F)F)c1F
InChIInChI=1S/C26H29F5N4O2/c1-14(16-3-2-4-17(21(16)27)22(28)29)33-23(37)18-13-35(26(8-9-26)24(30)31)20(36)11-19(18)34-15-5-10-32-25(12-15)6-7-25/h2-4,11,13-15,22,24,32,34H,5-10,12H2,1H3,(H,33,37)/t14-,15+/m1/s1
InChIKeyYFIVZBGIFUUEHN-CABCVRRESA-N
XLogP4.87
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648589
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648792
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676006
US20230348424, Example 78
CID 169126969
1-(3,5-Bis(trifluoromethyl)benzyl)-N-(2-(dimethylamino)ethyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3780154
1-(3,5-Bis(trifluoromethyl)benzyl)-N-methyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 3829837
N-[(3-methylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464270
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464292
N-[(3-ethylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464547
N-[(3-ethenylphenyl)-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464571

Frequently Asked Questions

What is the IUPAC name of 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide (CID 169126717) is 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn(C2(C(F)F)CC2)c(=O)cc1N[C@H]1CCNC2(CC2)C1)c1cccc(C(F)F)c1F.
What is the InChIKey of 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is YFIVZBGIFUUEHN-CABCVRRESA-N. The full InChI is InChI=1S/C26H29F5N4O2/c1-14(16-3-2-4-17(21(16)27)22(28)29)33-23(37)18-13-35(26(8-9-26)24(30)31)20(36)11-19(18)34-15-5-10-32-25(12-15)6-7-25/h2-4,11,13-15,22,24,32,34H,5-10,12H2,1H3,(H,33,37)/t14-,15+/m1/s1.
What are the key properties of 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide?
4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 524.53 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7S)-4-azaspiro[2.5]octan-7-yl]amino]-1-[1-(difluoromethyl)cyclopropyl]-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).