N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide

C24H25N5O3 — CID 154970389

IUPACN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
SMILESCOc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)15-9-16(10-15)29-13-14-8-20(22(32-3)11-19(14)28-29)27-23(30)21-12-25-17-6-4-5-7-18(17)26-21/h4-8,11-13,15-16,31H,9-10H2,1-3H3,(H,27,30)
InChIKeyLPROJANEQWGVJZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.96
Rot. Bonds5

About N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide

N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide (PubChem CID 154970389) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
PubChem CID154970389
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
SMILESCOc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)15-9-16(10-15)29-13-14-8-20(22(32-3)11-19(14)28-29)27-23(30)21-12-25-17-6-4-5-7-18(17)26-21/h4-8,11-13,15-16,31H,9-10H2,1-3H3,(H,27,30)
InChIKeyLPROJANEQWGVJZ-UHFFFAOYSA-N
XLogP3.96
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazole-5-carboxamide
CID 175556077
N-(4-chloro-2,5-dimethoxyphenyl)quinoxaline-2-carboxamide
CID 17433781
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 170239920
methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 165063639
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
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-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide (CID 154970389) is N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide is COc1cc2nn(C3CC(C(C)(C)O)C3)cc2cc1NC(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide?
The InChIKey is LPROJANEQWGVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,31)15-9-16(10-15)29-13-14-8-20(22(32-3)11-19(14)28-29)27-23(30)21-12-25-17-6-4-5-7-18(17)26-21/h4-8,11-13,15-16,31H,9-10H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide?
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 154970389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).