6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide

C20H24N6O — CID 25182774

IUPAC6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyHIRJAQVDBPWMCT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.68
Rot. Bonds4

About 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide

6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 25182774) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID25182774
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1
InChIInChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27)
InChIKeyHIRJAQVDBPWMCT-UHFFFAOYSA-N
XLogP3.68
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 25182774) is 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is Cc1cc2[nH]ncc2cc1NC(=O)c1cc(N(C)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is HIRJAQVDBPWMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).