1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide

C56H77FN8O8S2 — CID 167564368

IUPAC1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)CN.CC(C)(O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1.O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C28H38N4O4S.C24H28FN3O3S.C4H11NO/c1-27(2,34)19-29-24-11-10-23(25(31-24)32-16-14-28(12-13-28)15-17-32)26(33)30-20-6-5-9-22(18-20)37(35,36)21-7-3-4-8-21;25-21-9-8-20(22(27-21)28-14-12-24(10-11-24)13-15-28)23(29)26-17-4-3-7-19(16-17)32(30,31)18-5-1-2-6-18;1-4(2,6)3-5/h5-6,9-11,18,21,34H,3-4,7-8,12-17,19H2,1-2H3,(H,29,31)(H,30,33);3-4,7-9,16,18H,1-2,5-6,10-15H2,(H,26,29);6H,3,5H2,1-2H3
InChIKeyFBVYVXRVDKSGND-UHFFFAOYSA-N
MW1073.41 g/mol
LogP8.90
Rot. Bonds14

About 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide

1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide (PubChem CID 167564368) has the molecular formula C56H77FN8O8S2 and a molecular weight of 1073.41 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
PubChem CID167564368
Molecular FormulaC56H77FN8O8S2
Molecular Weight1073.41 g/mol
Exact Mass1072.53
IUPAC Name1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)CN.CC(C)(O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1.O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)nc1N1CCC2(CC1)CC2
InChIInChI=1S/C28H38N4O4S.C24H28FN3O3S.C4H11NO/c1-27(2,34)19-29-24-11-10-23(25(31-24)32-16-14-28(12-13-28)15-17-32)26(33)30-20-6-5-9-22(18-20)37(35,36)21-7-3-4-8-21;25-21-9-8-20(22(27-21)28-14-12-24(10-11-24)13-15-28)23(29)26-17-4-3-7-19(16-17)32(30,31)18-5-1-2-6-18;1-4(2,6)3-5/h5-6,9-11,18,21,34H,3-4,7-8,12-17,19H2,1-2H3,(H,29,31)(H,30,33);3-4,7-9,16,18H,1-2,5-6,10-15H2,(H,26,29);6H,3,5H2,1-2H3
InChIKeyFBVYVXRVDKSGND-UHFFFAOYSA-N
XLogP8.90
TPSA237.25 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001073.41
LogP ≤ 58.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 155781182
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[[(2S)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide
CID 155781183
2-(6-azaspiro[2.5]octan-6-yl)-6-(tert-butylamino)-N-(3-cyclopentylsulfonylphenyl)pyridine-3-carboxamide
CID 155781206
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[[(2S)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 155781213
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 155781220
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]pyridine-3-carboxamide
CID 155781224
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(1-hydroxycyclobutyl)methylamino]pyridine-3-carboxamide
CID 155781249
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[[(2R)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 155781264
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxamide
CID 155781288
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 155781313
2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-(3-hydroxyazetidin-1-yl)pyridine-3-carboxamide
CID 155781331
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-(2-methylpropylsulfonyl)phenyl]pyridine-3-carboxamide
CID 155781380

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide?
The IUPAC name of 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide (CID 167564368) is 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide is CC(C)(O)CN.CC(C)(O)CNc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c(N2CCC3(CC2)CC3)n1.O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccc(F)nc1N1CCC2(CC1)CC2.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide?
The InChIKey is FBVYVXRVDKSGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4S.C24H28FN3O3S.C4H11NO/c1-27(2,34)19-29-24-11-10-23(25(31-24)32-16-14-28(12-13-28)15-17-32)26(33)30-20-6-5-9-22(18-20)37(35,36)21-7-3-4-8-21;25-21-9-8-20(22(27-21)28-14-12-24(10-11-24)13-15-28)23(29)26-17-4-3-7-19(16-17)32(30,31)18-5-1-2-6-18;1-4(2,6)3-5/h5-6,9-11,18,21,34H,3-4,7-8,12-17,19H2,1-2H3,(H,29,31)(H,30,33);3-4,7-9,16,18H,1-2,5-6,10-15H2,(H,26,29);6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide?
1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide has a molecular weight of 1073.41 g/mol, XLogP of 8.90, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-fluoropyridine-3-carboxamide;2-(6-azaspiro[2.5]octan-6-yl)-N-(3-cyclopentylsulfonylphenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 167564368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).