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

C25H28N8O2 — CID 118173133

IUPAC6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C25H28N8O2/c1-17-20(15-31(3)28-17)22-5-4-6-23(27-22)25(35)26-19-7-8-21-18(13-19)14-33(29-21)16-24(34)32-11-9-30(2)10-12-32/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,35)
InChIKeyBOQRWDWGCZRJOM-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.17
Rot. Bonds5

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

6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (PubChem CID 118173133) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
PubChem CID118173133
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide
SMILESCc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1
InChIInChI=1S/C25H28N8O2/c1-17-20(15-31(3)28-17)22-5-4-6-23(27-22)25(35)26-19-7-8-21-18(13-19)14-33(29-21)16-24(34)32-11-9-30(2)10-12-32/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,35)
InChIKeyBOQRWDWGCZRJOM-UHFFFAOYSA-N
XLogP2.17
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-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 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide (CID 118173133) is 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is Cc1nn(C)cc1-c1cccc(C(=O)Nc2ccc3nn(CC(=O)N4CCN(C)CC4)cc3c2)n1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is BOQRWDWGCZRJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-17-20(15-31(3)28-17)22-5-4-6-23(27-22)25(35)26-19-7-8-21-18(13-19)14-33(29-21)16-24(34)32-11-9-30(2)10-12-32/h4-8,13-15H,9-12,16H2,1-3H3,(H,26,35).
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide?
6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-N-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118173133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).