N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide

C26H35FN6O5S — CID 170178544

IUPACN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(C)(F)C1
InChIInChI=1S/C26H35FN6O5S/c1-25(27)7-10-33(17-25)23-21(38-2)4-3-18(29-23)24(35)30-19-16-28-22(31-39(36,37)14-13-34)15-20(19)32-11-8-26(5-6-26)9-12-32/h3-4,15-16,34H,5-14,17H2,1-2H3,(H,28,31)(H,30,35)
InChIKeyOZVGFZSIAHKAEU-UHFFFAOYSA-N
MW562.67 g/mol
LogP2.79
Rot. Bonds9

About N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide

N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide (PubChem CID 170178544) has the molecular formula C26H35FN6O5S and a molecular weight of 562.67 g/mol. Its IUPAC name is N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide
PubChem CID170178544
Molecular FormulaC26H35FN6O5S
Molecular Weight562.67 g/mol
Exact Mass562.24
IUPAC NameN-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(C)(F)C1
InChIInChI=1S/C26H35FN6O5S/c1-25(27)7-10-33(17-25)23-21(38-2)4-3-18(29-23)24(35)30-19-16-28-22(31-39(36,37)14-13-34)15-20(19)32-11-8-26(5-6-26)9-12-32/h3-4,15-16,34H,5-14,17H2,1-2H3,(H,28,31)(H,30,35)
InChIKeyOZVGFZSIAHKAEU-UHFFFAOYSA-N
XLogP2.79
TPSA136.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.67
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide (CID 170178544) is N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2cnc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc1N1CCC(C)(F)C1.
What is the InChIKey of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide?
The InChIKey is OZVGFZSIAHKAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN6O5S/c1-25(27)7-10-33(17-25)23-21(38-2)4-3-18(29-23)24(35)30-19-16-28-22(31-39(36,37)14-13-34)15-20(19)32-11-8-26(5-6-26)9-12-32/h3-4,15-16,34H,5-14,17H2,1-2H3,(H,28,31)(H,30,35).
What are the key properties of N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide?
N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide has a molecular weight of 562.67 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-3-pyridinyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 170178544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).