1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide

C22H28N4O3 — CID 170693376

IUPAC1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C22H28N4O3/c1-14-7-17(22(23)28)11-25(10-14)20-8-16-12-26(24-19(16)9-21(20)29-2)18-5-3-15(13-27)4-6-18/h7-10,12,15,18,27H,3-6,11,13H2,1-2H3,(H2,23,28)
InChIKeyMIASSSQLAFBXTD-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.90
Rot. Bonds5

About 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide

1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide (PubChem CID 170693376) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
PubChem CID170693376
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide
SMILESCOc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=C(C)C=C(C(N)=O)C1
InChIInChI=1S/C22H28N4O3/c1-14-7-17(22(23)28)11-25(10-14)20-8-16-12-26(24-19(16)9-21(20)29-2)18-5-3-15(13-27)4-6-18/h7-10,12,15,18,27H,3-6,11,13H2,1-2H3,(H2,23,28)
InChIKeyMIASSSQLAFBXTD-UHFFFAOYSA-N
XLogP2.90
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-methoxy-5-(5-methoxy-2H-pyridin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 169226945
[4-(5-amino-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437469
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-2H-pyrazine-2-carboxamide
CID 155438131
[4-(6-methoxy-5-nitroindazol-2-yl)cyclohexyl]methanol
CID 162721663
[4-[6-methoxy-5-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)indazol-2-yl]cyclohexyl]methanol
CID 163362486
5-fluoro-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438184
[4-(5-amino-6-methylindazol-2-yl)cyclohexyl]methanol
CID 170379953
2-[5-bromo-2-[4-(hydroxymethyl)cyclohexyl]indazol-6-yl]oxypropanoic acid
CID 155437454
[4-[5-amino-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 164567417
N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide
CID 155437771
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide?
The IUPAC name of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide (CID 170693376) is 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide is COc1cc2nn(C3CCC(CO)CC3)cc2cc1N1C=C(C)C=C(C(N)=O)C1.
What is the InChIKey of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide?
The InChIKey is MIASSSQLAFBXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-7-17(22(23)28)11-25(10-14)20-8-16-12-26(24-19(16)9-21(20)29-2)18-5-3-15(13-27)4-6-18/h7-10,12,15,18,27H,3-6,11,13H2,1-2H3,(H2,23,28).
What are the key properties of 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide?
1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]-5-methyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 170693376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).