2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C25H23N7O — CID 90378274

IUPAC2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(CN=[N+]=[N-])c1
InChIInChI=1S/C25H23N7O/c26-13-17-3-1-2-4-22(17)16-5-9-23(18(11-16)14-29-31-27)25(33)32(20-6-7-20)21-8-10-24-19(12-21)15-28-30-24/h1-5,9,11,15,20-21H,6-8,10,12,14H2,(H,28,30)
InChIKeyZLFLGPMTVBSGBL-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.92
Rot. Bonds6

About 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 90378274) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID90378274
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESN#Cc1ccccc1-c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(CN=[N+]=[N-])c1
InChIInChI=1S/C25H23N7O/c26-13-17-3-1-2-4-22(17)16-5-9-23(18(11-16)14-29-31-27)25(33)32(20-6-7-20)21-8-10-24-19(12-21)15-28-30-24/h1-5,9,11,15,20-21H,6-8,10,12,14H2,(H,28,30)
InChIKeyZLFLGPMTVBSGBL-UHFFFAOYSA-N
XLogP4.92
TPSA121.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(azidomethoxy)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)naphthalene-2-carboxamide
CID 90378103
N-cyclopropyl-4-pyridin-2-yl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382071
N-cyclopropyl-2,5-dimethyl-1-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrrole-3-carboxamide
CID 90381983
N-cyclopropyl-5-methyl-1-(2-methylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 90381890
N-cyclopropyl-1-(1-phenylethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)indazole-4-carboxamide
CID 90370081
N-cyclopropyl-4-(2-methylpropoxy)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 90382008
2-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)phenyl]benzonitrile
CID 86859770
3-chloro-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)benzamide
CID 153212613
N-ethyl-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1-benzothiophene-2-carboxamide
CID 90378366
benzyl N-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)carbamate
CID 175325896
2-(2-cyanophenyl)-N-cyclopentyl-N-methylbenzamide
CID 51268476
2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 126783698

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 90378274) is 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is N#Cc1ccccc1-c1ccc(C(=O)N(C2CC2)C2CCc3[nH]ncc3C2)c(CN=[N+]=[N-])c1.
What is the InChIKey of 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is ZLFLGPMTVBSGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c26-13-17-3-1-2-4-22(17)16-5-9-23(18(11-16)14-29-31-27)25(33)32(20-6-7-20)21-8-10-24-19(12-21)15-28-30-24/h1-5,9,11,15,20-21H,6-8,10,12,14H2,(H,28,30).
What are the key properties of 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 437.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-4-(2-cyanophenyl)-N-cyclopropyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 90378274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).