N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide

C19H16N4O3S — CID 50846983

IUPACN-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1sc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2c1OC
InChIInChI=1S/C19H16N4O3S/c1-20-19(25)17-16(26-2)12-9-10(7-8-14(12)27-17)21-18(24)15-11-5-3-4-6-13(11)22-23-15/h3-9H,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyGXLDONJTUZBPLD-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.40
Rot. Bonds4

About N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide

N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide (PubChem CID 50846983) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide
PubChem CID50846983
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide
SMILESCNC(=O)c1sc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2c1OC
InChIInChI=1S/C19H16N4O3S/c1-20-19(25)17-16(26-2)12-9-10(7-8-14(12)27-17)21-18(24)15-11-5-3-4-6-13(11)22-23-15/h3-9H,1-2H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyGXLDONJTUZBPLD-UHFFFAOYSA-N
XLogP3.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-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-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide (CID 50846983) is N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide is CNC(=O)c1sc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2c1OC.
What is the InChIKey of N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is GXLDONJTUZBPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-20-19(25)17-16(26-2)12-9-10(7-8-14(12)27-17)21-18(24)15-11-5-3-4-6-13(11)22-23-15/h3-9H,1-2H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide?
N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(methylcarbamoyl)-1-benzothiophen-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 50846983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).