N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C27H26N4O3S — CID 31333798

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C27H26N4O3S/c1-29(27(32)22-13-14-25-21(17-22)15-16-31(25)35(2,33)34)18-23-19-30(24-11-7-4-8-12-24)28-26(23)20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyWEIINNPSIJTQFW-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.13
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 31333798) has the molecular formula C27H26N4O3S and a molecular weight of 486.60 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID31333798
Molecular FormulaC27H26N4O3S
Molecular Weight486.60 g/mol
Exact Mass486.17
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C27H26N4O3S/c1-29(27(32)22-13-14-25-21(17-22)15-16-31(25)35(2,33)34)18-23-19-30(24-11-7-4-8-12-24)28-26(23)20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3
InChIKeyWEIINNPSIJTQFW-UHFFFAOYSA-N
XLogP4.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
4-(cyclopropylcarbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39934487
N-benzyl-1-methylsulfonyl-N-propan-2-yl-2,3-dihydroindole-5-carboxamide
CID 51323616
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31151601
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55531708
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 31981968
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86912091
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 31333798) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is WEIINNPSIJTQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S/c1-29(27(32)22-13-14-25-21(17-22)15-16-31(25)35(2,33)34)18-23-19-30(24-11-7-4-8-12-24)28-26(23)20-9-5-3-6-10-20/h3-14,17,19H,15-16,18H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 31333798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).