5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C22H25FN4O3 — CID 155438184

IUPAC5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C22H25FN4O3/c1-13-17(23)7-8-18(24-13)22(29)25-20-9-15-11-27(26-19(15)10-21(20)30-2)16-5-3-14(12-28)4-6-16/h7-11,14,16,28H,3-6,12H2,1-2H3,(H,25,29)
InChIKeyIUNOLVSAKIQEHJ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.86
Rot. Bonds5

About 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155438184) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID155438184
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1ccc(F)c(C)n1
InChIInChI=1S/C22H25FN4O3/c1-13-17(23)7-8-18(24-13)22(29)25-20-9-15-11-27(26-19(15)10-21(20)30-2)16-5-3-14(12-28)4-6-16/h7-11,14,16,28H,3-6,12H2,1-2H3,(H,25,29)
InChIKeyIUNOLVSAKIQEHJ-UHFFFAOYSA-N
XLogP3.86
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 155437771
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[6-(difluoromethyl)-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438138
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 170239920
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051583
2-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167156352
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 155438184) is 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCC(CO)CC3)cc2cc1NC(=O)c1ccc(F)c(C)n1.
What is the InChIKey of 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is IUNOLVSAKIQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-13-17(23)7-8-18(24-13)22(29)25-20-9-15-11-27(26-19(15)10-21(20)30-2)16-5-3-14(12-28)4-6-16/h7-11,14,16,28H,3-6,12H2,1-2H3,(H,25,29).
What are the key properties of 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155438184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).