N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide

C27H25N5O4S — CID 145211535

IUPACN-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
SMILESCc1cc2cc(C(=O)c3cnn(-c4ccc(Oc5ccccc5)cc4C)c3N)[nH]c2cc1NS(C)(=O)=O
InChIInChI=1S/C27H25N5O4S/c1-16-11-18-13-24(30-23(18)14-22(16)31-37(3,34)35)26(33)21-15-29-32(27(21)28)25-10-9-20(12-17(25)2)36-19-7-5-4-6-8-19/h4-15,30-31H,28H2,1-3H3
InChIKeyBJMCXYMGJARRAP-UHFFFAOYSA-N
MW515.60 g/mol
LogP4.95
Rot. Bonds7

About N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide

N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide (PubChem CID 145211535) has the molecular formula C27H25N5O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
PubChem CID145211535
Molecular FormulaC27H25N5O4S
Molecular Weight515.60 g/mol
Exact Mass515.16
IUPAC NameN-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide
SMILESCc1cc2cc(C(=O)c3cnn(-c4ccc(Oc5ccccc5)cc4C)c3N)[nH]c2cc1NS(C)(=O)=O
InChIInChI=1S/C27H25N5O4S/c1-16-11-18-13-24(30-23(18)14-22(16)31-37(3,34)35)26(33)21-15-29-32(27(21)28)25-10-9-20(12-17(25)2)36-19-7-5-4-6-8-19/h4-15,30-31H,28H2,1-3H3
InChIKeyBJMCXYMGJARRAP-UHFFFAOYSA-N
XLogP4.95
TPSA132.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.60
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]oxane-4-sulfonamide
CID 137359190
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-(methylsulfanylamino)-1H-indol-2-yl]methanone
CID 145211383
N-[2-[5-amino-1-[6-(3-chlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
CID 137358924
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-[(methoxyamino)sulfanylamino]-1H-indol-2-yl]methanone
CID 146258169
3-[4-[5-amino-4-(5-bromo-1H-indole-2-carbonyl)pyrazol-1-yl]-3-methylphenoxy]-N,N-dimethylbenzamide
CID 134409146
[2-[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-6-[(methoxyamino)sulfanylamino]-1H-indol-5-yl] hypofluorite
CID 145211283
[5-amino-1-[4-(2-fluorophenoxy)-2-methylphenyl]pyrazol-4-yl]-[5-fluoro-6-[[(3-methyloxetan-3-yl)amino]sulfanylamino]-1H-indol-2-yl]methanone
CID 146258150
N-[2-[5-amino-1-[6-(2,5-dichlorophenoxy)-2,4-dimethyl-3-pyridinyl]pyrazole-4-carbonyl]-5-fluoro-1H-indol-6-yl]methanesulfonamide
CID 146258217
[5-amino-1-[4-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-2-methylphenyl]pyrazol-4-yl]-[5-methyl-6-(methylsulfanylamino)-1H-indol-2-yl]methanone
CID 134448564
[2-[5-amino-1-[4-(3-cyanophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]methyl formate
CID 174808659
[2-[5-amino-1-[4-(3-bromophenoxy)-2-methylphenyl]pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138387
[5-amino-1-(4,6-dimethyl-3-pyridinyl)pyrazol-4-yl]-[5-methyl-6-(sulfanylamino)-1H-indol-2-yl]methanone
CID 145211847

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide?
The IUPAC name of N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide (CID 145211535) is N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide is Cc1cc2cc(C(=O)c3cnn(-c4ccc(Oc5ccccc5)cc4C)c3N)[nH]c2cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide?
The InChIKey is BJMCXYMGJARRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S/c1-16-11-18-13-24(30-23(18)14-22(16)31-37(3,34)35)26(33)21-15-29-32(27(21)28)25-10-9-20(12-17(25)2)36-19-7-5-4-6-8-19/h4-15,30-31H,28H2,1-3H3.
What are the key properties of N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide?
N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide has a molecular weight of 515.60 g/mol, XLogP of 4.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-amino-1-(2-methyl-4-phenoxyphenyl)pyrazole-4-carbonyl]-5-methyl-1H-indol-6-yl]methanesulfonamide is sourced from PubChem (CID 145211535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).