4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide

C26H37FN6O5S — CID 170178669

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1nc(NC(=O)c2cnc(NCS(=O)CCO)cc2N2CCC3(CC2)CC3)ccc1OCF
InChIInChI=1S/C26H37FN6O5S/c1-25(2,15-35)32-23-20(38-16-27)3-4-21(30-23)31-24(36)18-14-28-22(29-17-39(37)12-11-34)13-19(18)33-9-7-26(5-6-26)8-10-33/h3-4,13-14,34-35H,5-12,15-17H2,1-2H3,(H,28,29)(H2,30,31,32,36)
InChIKeyLMEXANUNLDXAKM-UHFFFAOYSA-N
MW564.68 g/mol
LogP2.71
Rot. Bonds13

About 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide

4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide (PubChem CID 170178669) has the molecular formula C26H37FN6O5S and a molecular weight of 564.68 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide
PubChem CID170178669
Molecular FormulaC26H37FN6O5S
Molecular Weight564.68 g/mol
Exact Mass564.25
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1nc(NC(=O)c2cnc(NCS(=O)CCO)cc2N2CCC3(CC2)CC3)ccc1OCF
InChIInChI=1S/C26H37FN6O5S/c1-25(2,15-35)32-23-20(38-16-27)3-4-21(30-23)31-24(36)18-14-28-22(29-17-39(37)12-11-34)13-19(18)33-9-7-26(5-6-26)8-10-33/h3-4,13-14,34-35H,5-12,15-17H2,1-2H3,(H,28,29)(H2,30,31,32,36)
InChIKeyLMEXANUNLDXAKM-UHFFFAOYSA-N
XLogP2.71
TPSA148.94 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.68
LogP ≤ 52.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(6-azaspiro[2.5]octan-6-yl)-N-[4-(fluoromethoxy)-3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide
CID 170178648
4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]-6-(2-hydroxyethylsulfonylamino)pyridine-3-carboxamide
CID 170179347
4-(6-azaspiro[2.5]octan-6-yl)-N-[3-(4,4-difluoropiperidin-1-yl)-4-(fluoromethoxy)phenyl]-6-[[(2R)-1-hydroxypropan-2-yl]sulfanylamino]pyridine-3-carboxamide
CID 170178651
4-(6-azaspiro[2.5]octan-6-yl)-N-[4-(fluoromethoxy)-3-morpholin-4-ylphenyl]-6-(2-hydroxyethylsulfanylamino)pyridine-3-carboxamide
CID 170179340
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(4,4-difluoropiperidin-1-yl)-5-(fluoromethoxy)-2-pyridinyl]-4-[[(2R)-1-hydroxypropan-2-yl]amino]sulfanylbenzamide
CID 170178623
3-(6-azaspiro[2.5]octan-6-yl)-5-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[3-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]pyrazine-2-carboxamide
CID 155781018
N-[3-(5-azaspiro[2.4]heptan-5-yl)-4-(fluoromethoxy)phenyl]-2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylamino)sulfanylbenzamide
CID 170178588
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(3,3-difluoroazetidin-1-yl)-5-methoxy-2-pyridinyl]-4-methylbenzamide
CID 170178945
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(3,3-difluoroazetidin-1-yl)-4-(fluoromethoxy)phenyl]-4-(2-hydroxyethylsulfonylamino)benzamide
CID 170178572
2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(fluoromethoxy)-3-(3-fluoro-3-methylpyrrolidin-1-yl)phenyl]-4-(2-hydroxyethylamino)sulfanylbenzamide
CID 170178590
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 154962891
4-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 146718259

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide (CID 170178669) is 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide is CC(C)(CO)Nc1nc(NC(=O)c2cnc(NCS(=O)CCO)cc2N2CCC3(CC2)CC3)ccc1OCF.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide?
The InChIKey is LMEXANUNLDXAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN6O5S/c1-25(2,15-35)32-23-20(38-16-27)3-4-21(30-23)31-24(36)18-14-28-22(29-17-39(37)12-11-34)13-19(18)33-9-7-26(5-6-26)8-10-33/h3-4,13-14,34-35H,5-12,15-17H2,1-2H3,(H,28,29)(H2,30,31,32,36).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide?
4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide has a molecular weight of 564.68 g/mol, XLogP of 2.71, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-N-[5-(fluoromethoxy)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-pyridinyl]-6-(2-hydroxyethylsulfinylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 170178669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).