benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate

C22H18N4O3 — CID 11176634

IUPACbenzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1
InChIInChI=1S/C22H18N4O3/c23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyRHXJYNKYCJKROW-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.08
Rot. Bonds5

About benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate

benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate (PubChem CID 11176634) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
PubChem CID11176634
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Namebenzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate
SMILESNC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1
InChIInChI=1S/C22H18N4O3/c23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26)
InChIKeyRHXJYNKYCJKROW-UHFFFAOYSA-N
XLogP4.08
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
3-[3-[(3-phenylpropanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11280967
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
CID 11484092
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
benzyl N-[[2-[[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoyl]cyclopropyl]methyl]carbamate
CID 23449753
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
CID 170562674
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
4-N-(3-pyridin-3-yl-1H-indazol-5-yl)benzene-1,4-dicarboxamide
CID 170562682
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxylic acid
CID 69422030

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate (CID 11176634) is benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate is NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)OCc4ccccc4)c3)c2c1.
What is the InChIKey of benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
The InChIKey is RHXJYNKYCJKROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c23-21(27)16-9-10-19-18(12-16)20(26-25-19)15-7-4-8-17(11-15)24-22(28)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,23,27)(H,24,28)(H,25,26).
What are the key properties of benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate?
benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate has a molecular weight of 386.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-carbamoyl-1H-indazol-3-yl)phenyl]carbamate is sourced from PubChem (CID 11176634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).