N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

C25H28FN5O3S — CID 118167726

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC1N(S(=O)(=O)c2ccnn2C)c2ccc(C(=O)NCc3ccc(F)cc3)cc2C12CCNCC2
InChIInChI=1S/C25H28FN5O3S/c1-17-25(10-13-27-14-11-25)21-15-19(24(32)28-16-18-3-6-20(26)7-4-18)5-8-22(21)31(17)35(33,34)23-9-12-29-30(23)2/h3-9,12,15,17,27H,10-11,13-14,16H2,1-2H3,(H,28,32)
InChIKeyZTTHRORXARMRQO-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.71
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (PubChem CID 118167726) has the molecular formula C25H28FN5O3S and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
PubChem CID118167726
Molecular FormulaC25H28FN5O3S
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
SMILESCC1N(S(=O)(=O)c2ccnn2C)c2ccc(C(=O)NCc3ccc(F)cc3)cc2C12CCNCC2
InChIInChI=1S/C25H28FN5O3S/c1-17-25(10-13-27-14-11-25)21-15-19(24(32)28-16-18-3-6-20(26)7-4-18)5-8-22(21)31(17)35(33,34)23-9-12-29-30(23)2/h3-9,12,15,17,27H,10-11,13-14,16H2,1-2H3,(H,28,32)
InChIKeyZTTHRORXARMRQO-UHFFFAOYSA-N
XLogP2.71
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazine-8-carboxamide
CID 71567143
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CID 177376974
N-[(1-benzoyl-2,3-dihydro-1H-indol-5-yl)methyl]-1-(difluoromethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 53009032
5-[benzyl-(1-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182413
5-[benzyl-(2-methylpyrazol-3-yl)sulfonylamino]-2-fluoro-N-propan-2-ylbenzamide
CID 46182462
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-2-pyridinyl)methyl]-2-prop-2-enylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
CID 118167589
4-fluoro-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 118169090
2,4-difluoro-N-[7-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 118169117
N-(4-fluoro-3-methylphenyl)-2-methyl-4,4-dioxo-5H-pyrazolo[3,4-c][2,1]benzothiazine-7-carboxamide
CID 130449983
2-(2-fluorophenyl)-N-[4-(1-piperidin-4-ylpyrazol-4-yl)-3-sulfamoylphenyl]acetamide
CID 132109840
5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
CID 135123719
5-[2-(2,4-difluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)-2-oxospiro[1H-indole-3,1'-cyclopentane]-7-carboxamide
CID 135134511

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide (CID 118167726) is N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is CC1N(S(=O)(=O)c2ccnn2C)c2ccc(C(=O)NCc3ccc(F)cc3)cc2C12CCNCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
The InChIKey is ZTTHRORXARMRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3S/c1-17-25(10-13-27-14-11-25)21-15-19(24(32)28-16-18-3-6-20(26)7-4-18)5-8-22(21)31(17)35(33,34)23-9-12-29-30(23)2/h3-9,12,15,17,27H,10-11,13-14,16H2,1-2H3,(H,28,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-1-(2-methylpyrazol-3-yl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide is sourced from PubChem (CID 118167726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).