3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide

C24H27F3N4O3S — CID 166629402

IUPAC3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H27F3N4O3S/c25-19-3-2-17(14-21(19)35(33,34)31-11-1-5-24(26,27)16-31)29-22(32)18-4-10-28-15-20(18)30-12-8-23(6-7-23)9-13-30/h2-4,10,14-15H,1,5-9,11-13,16H2,(H,29,32)
InChIKeyAVFRQNROLARURO-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.27
Rot. Bonds5

About 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide (PubChem CID 166629402) has the molecular formula C24H27F3N4O3S and a molecular weight of 508.57 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide
PubChem CID166629402
Molecular FormulaC24H27F3N4O3S
Molecular Weight508.57 g/mol
Exact Mass508.18
IUPAC Name3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2
InChIInChI=1S/C24H27F3N4O3S/c25-19-3-2-17(14-21(19)35(33,34)31-11-1-5-24(26,27)16-31)29-22(32)18-4-10-28-15-20(18)30-12-8-23(6-7-23)9-13-30/h2-4,10,14-15H,1,5-9,11-13,16H2,(H,29,32)
InChIKeyAVFRQNROLARURO-UHFFFAOYSA-N
XLogP4.27
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-5-methylphenyl]pyridine-4-carboxamide
CID 155781271
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
CID 114288647
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoropiperidin-1-yl)-2-pyridinyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 154957820
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-4-methylsulfonylbenzamide
CID 167548149
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
CID 171915077
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-[(1-ethynylcyclopropyl)sulfonylamino]benzamide
CID 176805062
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-phenylpyrimidine-5-carboxamide
CID 75400675
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
3-(3,3-difluoro-4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4-difluorophenyl)-4-fluorobenzamide
CID 118404403
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-4-[(1-methylcyclopropyl)sulfonylamino]benzamide
CID 155780813
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37023704

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide?
The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide (CID 166629402) is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide is O=C(Nc1ccc(F)c(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2.
What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide?
The InChIKey is AVFRQNROLARURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3S/c25-19-3-2-17(14-21(19)35(33,34)31-11-1-5-24(26,27)16-31)29-22(32)18-4-10-28-15-20(18)30-12-8-23(6-7-23)9-13-30/h2-4,10,14-15H,1,5-9,11-13,16H2,(H,29,32).
What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide?
3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide has a molecular weight of 508.57 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoropiperidin-1-yl)sulfonyl-4-fluorophenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166629402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).