2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide

C21H25N5O2 — CID 176791194

IUPAC2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
SMILESCCc1cccc2c1c(C)nn2-c1ncc(C(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-3-14-5-4-6-18-19(14)13(2)25-26(18)21-22-11-15(12-23-21)20(28)24-16-7-9-17(27)10-8-16/h4-6,11-12,16-17,27H,3,7-10H2,1-2H3,(H,24,28)
InChIKeyFSKCCMKPOWFTLI-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide

2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide (PubChem CID 176791194) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
PubChem CID176791194
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide
SMILESCCc1cccc2c1c(C)nn2-c1ncc(C(=O)NC2CCC(O)CC2)cn1
InChIInChI=1S/C21H25N5O2/c1-3-14-5-4-6-18-19(14)13(2)25-26(18)21-22-11-15(12-23-21)20(28)24-16-7-9-17(27)10-8-16/h4-6,11-12,16-17,27H,3,7-10H2,1-2H3,(H,24,28)
InChIKeyFSKCCMKPOWFTLI-UHFFFAOYSA-N
XLogP2.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylcyclohexyl)-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176791101
2-(3-methylindazol-1-yl)-N-[4-(2-methylsulfonylethyl)cyclohexyl]pyrimidine-5-carboxamide
CID 176790881
N-[4-[(2R)-2-hydroxypropoxy]cyclohexyl]-2-(3-methylindazol-1-yl)pyrimidine-5-carboxamide
CID 176790912
N-(4-cyanocyclohexyl)-2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxamide
CID 176790792
6-(6-chloro-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 176791178
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(4-hydroxycyclohexyl)benzamide
CID 122563847
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
N-cyclopropyl-5-ethyl-3-methyl-1-phenylpyrazole-4-carboxamide
CID 42818280
N-[4-[[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]benzamide
CID 42679259
ethyl 4-[[2-(2-ethylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261818

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide (CID 176791194) is 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide is CCc1cccc2c1c(C)nn2-c1ncc(C(=O)NC2CCC(O)CC2)cn1.
What is the InChIKey of 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide?
The InChIKey is FSKCCMKPOWFTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-14-5-4-6-18-19(14)13(2)25-26(18)21-22-11-15(12-23-21)20(28)24-16-7-9-17(27)10-8-16/h4-6,11-12,16-17,27H,3,7-10H2,1-2H3,(H,24,28).
What are the key properties of 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide?
2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylindazol-1-yl)-N-(4-hydroxycyclohexyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 176791194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).