N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide

C31H30N8O3 — CID 118182511

IUPACN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C31H30N8O3/c1-21-25(19-36(2)34-21)27-9-6-10-28(33-27)30(41)32-24-11-12-26-23(17-24)18-39(35-26)20-29(40)37-13-15-38(16-14-37)31(42)22-7-4-3-5-8-22/h3-12,17-19H,13-16,20H2,1-2H3,(H,32,41)
InChIKeyOXGSETQLAGZHFM-UHFFFAOYSA-N
MW562.63 g/mol
LogP3.38
Rot. Bonds6

About N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide

N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 118182511) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID118182511
Molecular FormulaC31H30N8O3
Molecular Weight562.63 g/mol
Exact Mass562.24
IUPAC NameN-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1
InChIInChI=1S/C31H30N8O3/c1-21-25(19-36(2)34-21)27-9-6-10-28(33-27)30(41)32-24-11-12-26-23(17-24)18-39(35-26)20-29(40)37-13-15-38(16-14-37)31(42)22-7-4-3-5-8-22/h3-12,17-19H,13-16,20H2,1-2H3,(H,32,41)
InChIKeyOXGSETQLAGZHFM-UHFFFAOYSA-N
XLogP3.38
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-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-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide (CID 118182511) is N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide is Cc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C(=O)c5ccccc5)CC4)cc3c2)n1.
What is the InChIKey of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is OXGSETQLAGZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c1-21-25(19-36(2)34-21)27-9-6-10-28(33-27)30(41)32-24-11-12-26-23(17-24)18-39(35-26)20-29(40)37-13-15-38(16-14-37)31(42)22-7-4-3-5-8-22/h3-12,17-19H,13-16,20H2,1-2H3,(H,32,41).
What are the key properties of N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide?
N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 562.63 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(1,3-dimethylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).