N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide

C30H21N5O2 — CID 22978276

IUPACN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H21N5O2/c36-29(20-10-12-25-27(34-35-28(25)18-20)13-11-21-6-1-2-15-31-21)19-5-3-7-22(17-19)33-30(37)24-8-4-9-26-23(24)14-16-32-26/h1-18,32H,(H,33,37)(H,34,35)/b13-11+
InChIKeyWUJNINTYNJYLEK-ACCUITESSA-N
MW483.53 g/mol
LogP6.09
Rot. Bonds6

About N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide

N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide (PubChem CID 22978276) has the molecular formula C30H21N5O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
PubChem CID22978276
Molecular FormulaC30H21N5O2
Molecular Weight483.53 g/mol
Exact Mass483.17
IUPAC NameN-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C30H21N5O2/c36-29(20-10-12-25-27(34-35-28(25)18-20)13-11-21-6-1-2-15-31-21)19-5-3-7-22(17-19)33-30(37)24-8-4-9-26-23(24)14-16-32-26/h1-18,32H,(H,33,37)(H,34,35)/b13-11+
InChIKeyWUJNINTYNJYLEK-ACCUITESSA-N
XLogP6.09
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-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 N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide (CID 22978276) is N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide is O=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The InChIKey is WUJNINTYNJYLEK-ACCUITESSA-N. The full InChI is InChI=1S/C30H21N5O2/c36-29(20-10-12-25-27(34-35-28(25)18-20)13-11-21-6-1-2-15-31-21)19-5-3-7-22(17-19)33-30(37)24-8-4-9-26-23(24)14-16-32-26/h1-18,32H,(H,33,37)(H,34,35)/b13-11+.
What are the key properties of N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 6.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 22978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).