phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate

C28H23N3O3 — CID 140745450

IUPACphenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)Oc4ccccc4)c32)cc1
InChIInChI=1S/C28H23N3O3/c1-33-22-17-15-20(16-18-22)19-31-27-24(26(30-31)21-9-4-2-5-10-21)13-8-14-25(27)29-28(32)34-23-11-6-3-7-12-23/h2-18H,19H2,1H3,(H,29,32)
InChIKeyRGGGIMNYRPGWCN-UHFFFAOYSA-N
MW449.51 g/mol
LogP6.37
Rot. Bonds6

About phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate

phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate (PubChem CID 140745450) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
PubChem CID140745450
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Namephenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)Oc4ccccc4)c32)cc1
InChIInChI=1S/C28H23N3O3/c1-33-22-17-15-20(16-18-22)19-31-27-24(26(30-31)21-9-4-2-5-10-21)13-8-14-25(27)29-28(32)34-23-11-6-3-7-12-23/h2-18H,19H2,1H3,(H,29,32)
InChIKeyRGGGIMNYRPGWCN-UHFFFAOYSA-N
XLogP6.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamic acid
CID 90156932
5-hydroxy-2-[(4-methoxyphenyl)methyl]-6-phenylpyridazin-3-one
CID 123582637
5-bromo-1-[(4-methoxyphenyl)methyl]-3-phenylindazole
CID 162528409
1-[5-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-4-yl]ethanone
CID 54383318
(4-methoxyphenyl) N-(2-amino-5-phenylphenyl)carbamate
CID 68785591
5-iodo-1-[(4-methoxyphenyl)methyl]-4-phenyltriazole
CID 163323695
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-benzyl-4-bromo-3,5-bis(4-methoxyphenyl)pyrazole
CID 19586324
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate?
The IUPAC name of phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate (CID 140745450) is phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate.
What is the SMILES notation for phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate?
The canonical SMILES for phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate is COc1ccc(Cn2nc(-c3ccccc3)c3cccc(NC(=O)Oc4ccccc4)c32)cc1.
What is the InChIKey of phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate?
The InChIKey is RGGGIMNYRPGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-33-22-17-15-20(16-18-22)19-31-27-24(26(30-31)21-9-4-2-5-10-21)13-8-14-25(27)29-28(32)34-23-11-6-3-7-12-23/h2-18H,19H2,1H3,(H,29,32).
What are the key properties of phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate?
phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate has a molecular weight of 449.51 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[(4-methoxyphenyl)methyl]-3-phenylindazol-7-yl]carbamate is sourced from PubChem (CID 140745450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).