1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole

C30H28N4O2 — CID 159219786

IUPAC1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
SMILESCOc1ccc2c(cnn2Cc2ccccc2)c1.COc1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/2C15H14N2O/c1-18-14-7-8-15-13(9-14)10-16-17(15)11-12-5-3-2-4-6-12;1-18-14-7-8-15-13(9-14)11-17(16-15)10-12-5-3-2-4-6-12/h2-10H,11H2,1H3;2-9,11H,10H2,1H3
InChIKeyKRNPARSCNHXNTI-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.19
Rot. Bonds6

About 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole

1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole (PubChem CID 159219786) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole.

Molecular Properties

Compound Name1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
PubChem CID159219786
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC Name1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
SMILESCOc1ccc2c(cnn2Cc2ccccc2)c1.COc1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/2C15H14N2O/c1-18-14-7-8-15-13(9-14)10-16-17(15)11-12-5-3-2-4-6-12;1-18-14-7-8-15-13(9-14)11-17(16-15)10-12-5-3-2-4-6-12/h2-10H,11H2,1H3;2-9,11H,10H2,1H3
InChIKeyKRNPARSCNHXNTI-UHFFFAOYSA-N
XLogP6.19
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-[(3-nitrophenyl)methyl]indazole
CID 15429052
1-benzyl-5,6-dimethoxyindazole
CID 83414174
2-ethyl-5-methoxyindazole
CID 10856015
2-benzylindazol-5-ol
CID 118954464
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
5-chloro-1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]indazole
CID 175810220
1-benzyl-5-methoxybenzimidazole
CID 10900689
[1-[1-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[2-[(4-methoxyphenyl)methyl]indazol-5-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(4-methylpiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 167670415
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939090
(E)-3-(1-benzylindazol-5-yl)-N-hydroxyprop-2-enamide
CID 170647943
1-benzyl-5-pyridazin-4-ylindazole
CID 173219391

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole?
The IUPAC name of 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole (CID 159219786) is 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole.
What is the SMILES notation for 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole?
The canonical SMILES for 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole is COc1ccc2c(cnn2Cc2ccccc2)c1.COc1ccc2nn(Cc3ccccc3)cc2c1.
What is the InChIKey of 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole?
The InChIKey is KRNPARSCNHXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14N2O/c1-18-14-7-8-15-13(9-14)10-16-17(15)11-12-5-3-2-4-6-12;1-18-14-7-8-15-13(9-14)11-17(16-15)10-12-5-3-2-4-6-12/h2-10H,11H2,1H3;2-9,11H,10H2,1H3.
What are the key properties of 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole?
1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole has a molecular weight of 476.58 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole is sourced from PubChem (CID 159219786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).