1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide

C25H17N3O2 — CID 56666601

IUPAC1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H17N3O2/c29-24(26-18-11-2-1-3-12-18)23-21-14-6-7-16-22(21)28(27-23)25(30)20-15-8-10-17-9-4-5-13-19(17)20/h1-16H,(H,26,29)
InChIKeyOMTRCXSOMSGPMY-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.13
Rot. Bonds3

About 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide

1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide (PubChem CID 56666601) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide
PubChem CID56666601
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC Name1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(C(=O)c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H17N3O2/c29-24(26-18-11-2-1-3-12-18)23-21-14-6-7-16-22(21)28(27-23)25(30)20-15-8-10-17-9-4-5-13-19(17)20/h1-16H,(H,26,29)
InChIKeyOMTRCXSOMSGPMY-UHFFFAOYSA-N
XLogP5.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide (CID 56666601) is 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(C(=O)c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide?
The InChIKey is OMTRCXSOMSGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24(26-18-11-2-1-3-12-18)23-21-14-6-7-16-22(21)28(27-23)25(30)20-15-8-10-17-9-4-5-13-19(17)20/h1-16H,(H,26,29).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide?
1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56666601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).