1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate

C28H24N4O4 — CID 157125189

IUPAC1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H18N2O4.C7H6N2/c1-25-15-8-9-16-17(12-15)23(13-14-6-4-3-5-7-14)22-20(16)18-10-11-19(27-18)21(24)26-2;1-2-4-7-6(3-1)5-8-9-7/h3-12H,13H2,1-2H3;1-5H,(H,8,9)
InChIKeyAIKREQSSLDNNMN-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.70
Rot. Bonds5

About 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate

1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate (PubChem CID 157125189) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Name1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
PubChem CID157125189
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C21H18N2O4.C7H6N2/c1-25-15-8-9-16-17(12-15)23(13-14-6-4-3-5-7-14)22-20(16)18-10-11-19(27-18)21(24)26-2;1-2-4-7-6(3-1)5-8-9-7/h3-12H,13H2,1-2H3;1-5H,(H,8,9)
InChIKeyAIKREQSSLDNNMN-UHFFFAOYSA-N
XLogP5.70
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496
2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
CID 141023866
methyl 5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-carboxylate
CID 46193608
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
(benzylamino) 5-(1-benzylindazol-3-yl)furan-2-carboxylate
CID 87493475
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
5-(1-benzylindazol-3-yl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 22480360
1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
CID 166128782
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559

Frequently Asked Questions

What is the IUPAC name of 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate?
The IUPAC name of 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate (CID 157125189) is 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate.
What is the SMILES notation for 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate?
The canonical SMILES for 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2nn(Cc3ccccc3)c3cc(OC)ccc23)o1.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate?
The InChIKey is AIKREQSSLDNNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4.C7H6N2/c1-25-15-8-9-16-17(12-15)23(13-14-6-4-3-5-7-14)22-20(16)18-10-11-19(27-18)21(24)26-2;1-2-4-7-6(3-1)5-8-9-7/h3-12H,13H2,1-2H3;1-5H,(H,8,9).
What are the key properties of 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate?
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate is sourced from PubChem (CID 157125189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).