N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C22H24N4O3 — CID 155438016

IUPACN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C22H24N4O3/c1-14-4-3-5-18(23-14)22(28)24-20-10-16-12-26(25-19(16)11-21(20)29-2)17-8-6-15(13-27)7-9-17/h3-5,10-13,15,17H,6-9H2,1-2H3,(H,24,28)
InChIKeyMGAIABGSZMTUFC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.93
Rot. Bonds5

About N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155438016) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
PubChem CID155438016
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1cccc(C)n1
InChIInChI=1S/C22H24N4O3/c1-14-4-3-5-18(23-14)22(28)24-20-10-16-12-26(25-19(16)11-21(20)29-2)17-8-6-15(13-27)7-9-17/h3-5,10-13,15,17H,6-9H2,1-2H3,(H,24,28)
InChIKeyMGAIABGSZMTUFC-UHFFFAOYSA-N
XLogP3.93
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
N-[2-(4-cyano-4-methylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 175253804
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051651
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methoxypyridine-2-carboxamide
CID 155437843
N-[6-ethoxy-2-(4-formylcyclohexyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155437685
dimagnesium;carbanide;bis(N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide);bis(methyl 3-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]cyclobutane-1-carboxylate);dibromide
CID 164986879
N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548
N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051583
6-isocyano-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 167375733
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 155438016) is N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCC(C=O)CC3)cc2cc1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is MGAIABGSZMTUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-4-3-5-18(23-14)22(28)24-20-10-16-12-26(25-19(16)11-21(20)29-2)17-8-6-15(13-27)7-9-17/h3-5,10-13,15,17H,6-9H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155438016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).