methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate

C22H23N3O4 — CID 165063639

IUPACmethyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)c4)c(OC)cc3n2)C1
InChIInChI=1S/C22H23N3O4/c1-13-5-4-6-14(7-13)21(26)23-19-10-16-12-25(24-18(16)11-20(19)28-2)17-8-15(9-17)22(27)29-3/h4-7,10-12,15,17H,8-9H2,1-3H3,(H,23,26)
InChIKeyKFDVEBQJUSLPBY-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.73
Rot. Bonds5

About methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate

methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate (PubChem CID 165063639) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate
PubChem CID165063639
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)c4)c(OC)cc3n2)C1
InChIInChI=1S/C22H23N3O4/c1-13-5-4-6-14(7-13)21(26)23-19-10-16-12-25(24-18(16)11-20(19)28-2)17-8-15(9-17)22(27)29-3/h4-7,10-12,15,17H,8-9H2,1-3H3,(H,23,26)
InChIKeyKFDVEBQJUSLPBY-UHFFFAOYSA-N
XLogP3.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
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
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-(2-cyclohexyl-6-methoxyindazol-5-yl)-2,3-difluorobenzamide;ethane
CID 155751873
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-4-(trifluoromethyl)benzamide
CID 170240298
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
CID 155437502
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-[2-[3-(2-hydroxypropan-2-yl)cyclobutyl]-6-methoxyindazol-5-yl]quinoxaline-2-carboxamide
CID 154970389
6-(dimethylamino)-1-hydroxy-N-[2-(4-hydroxycyclohexyl)-6-methoxyindazol-5-yl]pyridin-1-ium-2-carboxamide
CID 170360278
N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 137377583
4-chloro-N-[2-[4-(1-iodoethyl)cyclohexyl]-6-methoxyindazol-5-yl]benzamide
CID 155449238

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate (CID 165063639) is methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate is COC(=O)C1CC(n2cc3cc(NC(=O)c4cccc(C)c4)c(OC)cc3n2)C1.
What is the InChIKey of methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate?
The InChIKey is KFDVEBQJUSLPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13-5-4-6-14(7-13)21(26)23-19-10-16-12-25(24-18(16)11-20(19)28-2)17-8-15(9-17)22(27)29-3/h4-7,10-12,15,17H,8-9H2,1-3H3,(H,23,26).
What are the key properties of methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate?
methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-methoxy-5-[(3-methylbenzoyl)amino]indazol-2-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 165063639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).