N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide

C20H17N5OS — CID 24677220

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3cccc4cn[nH]c34)cc2)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-13(2)23-20(22-12)27-16-8-6-15(7-9-16)24-19(26)17-5-3-4-14-11-21-25-18(14)17/h3-11H,1-2H3,(H,21,25)(H,24,26)
InChIKeyIUSYFNUAIJREOG-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.37
Rot. Bonds4

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide (PubChem CID 24677220) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
PubChem CID24677220
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3cccc4cn[nH]c34)cc2)n1
InChIInChI=1S/C20H17N5OS/c1-12-10-13(2)23-20(22-12)27-16-8-6-15(7-9-16)24-19(26)17-5-3-4-14-11-21-25-18(14)17/h3-11H,1-2H3,(H,21,25)(H,24,26)
InChIKeyIUSYFNUAIJREOG-UHFFFAOYSA-N
XLogP4.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
CID 84583335
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1H-indazole-7-carboxamide
CID 55961643
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
CID 30703297
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide (CID 24677220) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide is Cc1cc(C)nc(Sc2ccc(NC(=O)c3cccc4cn[nH]c34)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide?
The InChIKey is IUSYFNUAIJREOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-10-13(2)23-20(22-12)27-16-8-6-15(7-9-16)24-19(26)17-5-3-4-14-11-21-25-18(14)17/h3-11H,1-2H3,(H,21,25)(H,24,26).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 24677220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).