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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).