N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide

C31H41F2N5O4S — CID 176791688

IUPACN-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H](CO)S(=O)(=O)Nc1ccc(NC(=O)c2cc3c(c(N4CCC(F)(F)CC4)c2)N(C)CC3)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C31H41F2N5O4S/c1-21(20-39)43(41,42)35-24-3-4-25(26(19-24)37-13-8-30(6-7-30)9-14-37)34-29(40)23-17-22-5-12-36(2)28(22)27(18-23)38-15-10-31(32,33)11-16-38/h3-4,17-19,21,35,39H,5-16,20H2,1-2H3,(H,34,40)/t21-/m0/s1
InChIKeyZRCIGSKNNTZPCD-NRFANRHFSA-N
MW617.76 g/mol
LogP4.67
Rot. Bonds8

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide (PubChem CID 176791688) has the molecular formula C31H41F2N5O4S and a molecular weight of 617.76 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
PubChem CID176791688
Molecular FormulaC31H41F2N5O4S
Molecular Weight617.76 g/mol
Exact Mass617.28
IUPAC NameN-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H](CO)S(=O)(=O)Nc1ccc(NC(=O)c2cc3c(c(N4CCC(F)(F)CC4)c2)N(C)CC3)c(N2CCC3(CC2)CC3)c1
InChIInChI=1S/C31H41F2N5O4S/c1-21(20-39)43(41,42)35-24-3-4-25(26(19-24)37-13-8-30(6-7-30)9-14-37)34-29(40)23-17-22-5-12-36(2)28(22)27(18-23)38-15-10-31(32,33)11-16-38/h3-4,17-19,21,35,39H,5-16,20H2,1-2H3,(H,34,40)/t21-/m0/s1
InChIKeyZRCIGSKNNTZPCD-NRFANRHFSA-N
XLogP4.67
TPSA105.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.76
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-[(1-hydroxy-2-methylpropan-2-yl)amino]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 176791537
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-3-(4,4-difluoropiperidin-1-yl)-4-(methylamino)benzamide
CID 170178781
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydroindole-5-carboxamide
CID 176792034
N-[2-amino-4-(4,4-difluoropiperidin-1-yl)-5-fluoro-1,3-benzothiazol-6-yl]-2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfonylamino]benzamide
CID 170331653
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methylindole-5-carboxamide
CID 176791869
2-(6-azaspiro[2.5]octan-6-yl)-N-[2-(4-fluoropiperidin-1-yl)-6-methylpyrimidin-4-yl]-4-(1-hydroxypropan-2-ylsulfonylamino)benzamide
CID 155011477
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methylindole-5-carboxamide
CID 177373100
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-morpholin-4-yl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 177373033
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-1-methyl-7-[(2R)-2-methylmorpholin-4-yl]-2,3-dihydropyrrolo[2,3-c]pyridine-5-carboxamide
CID 176791754
(2S)-N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[5-[2-(4,4-difluoropiperidin-1-yl)-6-methyl-4-pyridinyl]-1,3,4-oxadiazol-2-yl]phenyl]-1-hydroxypropane-2-sulfonamide
CID 172634244
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-6-(3,3-difluoroazetidin-1-yl)-5-methoxypyridine-2-carboxamide
CID 170179281
2-[[3-(6-azaspiro[2.5]octan-6-yl)-4-[[7-(4,4-difluoropiperidin-1-yl)-1-methylpyrrolo[2,3-c]pyridine-5-carbonyl]amino]phenyl]sulfamoyl]ethyl acetate
CID 176791613

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide (CID 176791688) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide is C[C@@H](CO)S(=O)(=O)Nc1ccc(NC(=O)c2cc3c(c(N4CCC(F)(F)CC4)c2)N(C)CC3)c(N2CCC3(CC2)CC3)c1.
What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZRCIGSKNNTZPCD-NRFANRHFSA-N. The full InChI is InChI=1S/C31H41F2N5O4S/c1-21(20-39)43(41,42)35-24-3-4-25(26(19-24)37-13-8-30(6-7-30)9-14-37)34-29(40)23-17-22-5-12-36(2)28(22)27(18-23)38-15-10-31(32,33)11-16-38/h3-4,17-19,21,35,39H,5-16,20H2,1-2H3,(H,34,40)/t21-/m0/s1.
What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide?
N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 617.76 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-[[(2S)-1-hydroxypropan-2-yl]sulfonylamino]phenyl]-7-(4,4-difluoropiperidin-1-yl)-1-methyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 176791688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).