2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide

C25H35N7O5S — CID 147830847

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1
InChIInChI=1S/C25H35N7O5S/c1-17-15-21(29-24(26-17)32-11-13-37-18(2)16-32)28-23(34)19-3-4-20(30-38(35,36)14-12-33)27-22(19)31-9-7-25(5-6-25)8-10-31/h3-4,15,18,33H,5-14,16H2,1-2H3,(H,27,30)(H,26,28,29,34)/t18-/m1/s1
InChIKeyHRBKAGGCYBZLSP-GOSISDBHSA-N
MW545.67 g/mol
LogP1.77
Rot. Bonds8

About 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide (PubChem CID 147830847) has the molecular formula C25H35N7O5S and a molecular weight of 545.67 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide
PubChem CID147830847
Molecular FormulaC25H35N7O5S
Molecular Weight545.67 g/mol
Exact Mass545.24
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1
InChIInChI=1S/C25H35N7O5S/c1-17-15-21(29-24(26-17)32-11-13-37-18(2)16-32)28-23(34)19-3-4-20(30-38(35,36)14-12-33)27-22(19)31-9-7-25(5-6-25)8-10-31/h3-4,15,18,33H,5-14,16H2,1-2H3,(H,27,30)(H,26,28,29,34)/t18-/m1/s1
InChIKeyHRBKAGGCYBZLSP-GOSISDBHSA-N
XLogP1.77
TPSA149.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.67
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Amg-650
CID 148163435
2-(6-azaspiro[2.5]octan-6-yl)-N-(2-cyclobutyloxy-6-methylpyrimidin-4-yl)-4-(2-hydroxyethylsulfonylamino)benzamide
CID 146779953
2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]-N-[2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]benzamide
CID 147880269
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 147946566
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-(5-methyl-6-morpholin-4-yl-2-pyridinyl)benzamide
CID 153624966
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]benzamide
CID 153625243
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 162426823
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
US11236069, Example 11-1
CID 146973136
US11236069, Example 11-33
CID 147015739
US11236069, Example 6-17
CID 147020122
US11236069, Example 11-20
CID 147100320

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide (CID 147830847) is 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)nc2N2CCC3(CC2)CC3)nc(N2CCO[C@H](C)C2)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide?
The InChIKey is HRBKAGGCYBZLSP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H35N7O5S/c1-17-15-21(29-24(26-17)32-11-13-37-18(2)16-32)28-23(34)19-3-4-20(30-38(35,36)14-12-33)27-22(19)31-9-7-25(5-6-25)8-10-31/h3-4,15,18,33H,5-14,16H2,1-2H3,(H,27,30)(H,26,28,29,34)/t18-/m1/s1.
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide has a molecular weight of 545.67 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-6-(2-hydroxyethylsulfonylamino)-N-[6-methyl-2-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 147830847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).