2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide

C22H27N5O3S — CID 176790881

IUPAC2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCC(CCS(C)(=O)=O)CC3)cn2)c2ccccc12
InChIInChI=1S/C22H27N5O3S/c1-15-19-5-3-4-6-20(19)27(26-15)22-23-13-17(14-24-22)21(28)25-18-9-7-16(8-10-18)11-12-31(2,29)30/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,25,28)
InChIKeyKJGDIYKZDSYJIB-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.85
Rot. Bonds6

About 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide

2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 176790881) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
PubChem CID176790881
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1nn(-c2ncc(C(=O)NC3CCC(CCS(C)(=O)=O)CC3)cn2)c2ccccc12
InChIInChI=1S/C22H27N5O3S/c1-15-19-5-3-4-6-20(19)27(26-15)22-23-13-17(14-24-22)21(28)25-18-9-7-16(8-10-18)11-12-31(2,29)30/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,25,28)
InChIKeyKJGDIYKZDSYJIB-UHFFFAOYSA-N
XLogP2.85
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-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

N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
CID 176791194
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
tert-butyl (3R)-3-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]pyrrolidine-1-carboxylate
CID 176790813
N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
CID 176790792
tert-butyl 3-[[2-[3-(trifluoromethyl)indazol-1-yl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176791007
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 176791093
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide (CID 176790881) is 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide is Cc1nn(-c2ncc(C(=O)NC3CCC(CCS(C)(=O)=O)CC3)cn2)c2ccccc12.
What is the InChIKey of 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is KJGDIYKZDSYJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-15-19-5-3-4-6-20(19)27(26-15)22-23-13-17(14-24-22)21(28)25-18-9-7-16(8-10-18)11-12-31(2,29)30/h3-6,13-14,16,18H,7-12H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide?
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 176790881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).