N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

C24H20N6O2S — CID 86763015

IUPACN-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(-c3cnn(C)c3)cc12
InChIInChI=1S/C24H20N6O2S/c1-13-15(4-3-5-19(13)29-23(32)24-26-8-9-33-24)16-6-7-17(22(25)31)21-18(16)10-20(28-21)14-11-27-30(2)12-14/h3-12,28H,1-2H3,(H2,25,31)(H,29,32)
InChIKeyITIKAAFLZHDMSQ-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.35
Rot. Bonds5

About N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide

N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (PubChem CID 86763015) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
PubChem CID86763015
Molecular FormulaC24H20N6O2S
Molecular Weight456.53 g/mol
Exact Mass456.14
IUPAC NameN-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
SMILESCc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(-c3cnn(C)c3)cc12
InChIInChI=1S/C24H20N6O2S/c1-13-15(4-3-5-19(13)29-23(32)24-26-8-9-33-24)16-6-7-17(22(25)31)21-18(16)10-20(28-21)14-11-27-30(2)12-14/h3-12,28H,1-2H3,(H2,25,31)(H,29,32)
InChIKeyITIKAAFLZHDMSQ-UHFFFAOYSA-N
XLogP4.35
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide 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-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide (CID 86763015) is N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is Cc1c(NC(=O)c2nccs2)cccc1-c1ccc(C(N)=O)c2[nH]c(-c3cnn(C)c3)cc12.
What is the InChIKey of N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is ITIKAAFLZHDMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-13-15(4-3-5-19(13)29-23(32)24-26-8-9-33-24)16-6-7-17(22(25)31)21-18(16)10-20(28-21)14-11-27-30(2)12-14/h3-12,28H,1-2H3,(H2,25,31)(H,29,32).
What are the key properties of N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide?
N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 86763015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).