N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide

C37H43N7O7S — CID 118514164

IUPACN-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCCOc1ncccc1[C@@]1(NC(=O)N2CC3(CCN(C4CCNCC4)CC3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
InChIInChI=1S/C37H43N7O7S/c1-4-51-33-28(6-5-15-40-33)37(41-35(46)43-23-36(24-43)13-18-42(19-14-36)26-11-16-39-17-12-26)29-20-25(22-38)7-9-30(29)44(34(37)45)52(47,48)32-10-8-27(49-2)21-31(32)50-3/h5-10,15,20-21,26,39H,4,11-14,16-19,23-24H2,1-3H3,(H,41,46)/t37-/m0/s1
InChIKeyITMPWMNDHVBEOH-QNGWXLTQSA-N
MW729.86 g/mol
LogP3.21
Rot. Bonds9

About N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide

N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide (PubChem CID 118514164) has the molecular formula C37H43N7O7S and a molecular weight of 729.86 g/mol. Its IUPAC name is N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
PubChem CID118514164
Molecular FormulaC37H43N7O7S
Molecular Weight729.86 g/mol
Exact Mass729.29
IUPAC NameN-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide
SMILESCCOc1ncccc1[C@@]1(NC(=O)N2CC3(CCN(C4CCNCC4)CC3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21
InChIInChI=1S/C37H43N7O7S/c1-4-51-33-28(6-5-15-40-33)37(41-35(46)43-23-36(24-43)13-18-42(19-14-36)26-11-16-39-17-12-26)29-20-25(22-38)7-9-30(29)44(34(37)45)52(47,48)32-10-8-27(49-2)21-31(32)50-3/h5-10,15,20-21,26,39H,4,11-14,16-19,23-24H2,1-3H3,(H,41,46)/t37-/m0/s1
InChIKeyITMPWMNDHVBEOH-QNGWXLTQSA-N
XLogP3.21
TPSA166.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.86
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-piperidin-4-yl-3-azaspiro[5.5]undecane-9-carboxamide
CID 118514153
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-piperidin-4-yl-3-azaspiro[5.5]undecane-9-carboxamide
CID 118514266
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514137
N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-6-(1-methylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane-2-carboxamide
CID 118514276
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)piperidin-1-yl]azetidine-1-carboxamide
CID 118175353
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-(4-oxopiperidin-1-yl)azetidine-1-carboxamide
CID 118173733
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]azetidine-1-carboxamide
CID 118175389
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxamide;N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]piperazine-1-carboxamide
CID 90421847
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 118514241
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-[4-[3-(oxetan-3-yl)azetidin-1-yl]piperidin-1-yl]azetidine-1-carboxamide
CID 118175380
N-[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 90309649
N-[(3S)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-3-azaspiro[5.5]undecane-9-carboxamide
CID 118514227

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide (CID 118514164) is N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide is CCOc1ncccc1[C@@]1(NC(=O)N2CC3(CCN(C4CCNCC4)CC3)C2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21.
What is the InChIKey of N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is ITMPWMNDHVBEOH-QNGWXLTQSA-N. The full InChI is InChI=1S/C37H43N7O7S/c1-4-51-33-28(6-5-15-40-33)37(41-35(46)43-23-36(24-43)13-18-42(19-14-36)26-11-16-39-17-12-26)29-20-25(22-38)7-9-30(29)44(34(37)45)52(47,48)32-10-8-27(49-2)21-31(32)50-3/h5-10,15,20-21,26,39H,4,11-14,16-19,23-24H2,1-3H3,(H,41,46)/t37-/m0/s1.
What are the key properties of N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide?
N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 729.86 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 118514164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).