N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide

C30H27N7O3 — CID 67113553

About N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide (PubChem CID 67113553) has the molecular formula C30H27N7O3 and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
• PubChem CID: 67113553
• Molecular Formula: C30H27N7O3
• Molecular Weight: 533.59 g/mol
• Exact Mass: 533.22
• IUPAC Name: N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
• SMILES: O=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)c3ccnnc3)cc2)c1)c1ccc(N2CCC(O)CC2)cc1
• InChI: InChI=1S/C30H27N7O3/c38-27-12-15-36(16-13-27)25-6-1-20(2-7-25)29(39)35-24-5-10-28-22(17-24)19-33-37(28)26-8-3-23(4-9-26)34-30(40)21-11-14-31-32-18-21/h1-11,14,17-19,27,38H,12-13,15-16H2,(H,34,40)(H,35,39)
• InChIKey: JRIJUZRBODNARN-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 125.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.59
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide?

The IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide (CID 67113553) is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide.

What is the SMILES notation for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide?

The canonical SMILES for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide is O=C(Nc1ccc2c(cnn2-c2ccc(NC(=O)c3ccnnc3)cc2)c1)c1ccc(N2CCC(O)CC2)cc1.

What is the InChIKey of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide?

The InChIKey is JRIJUZRBODNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N7O3/c38-27-12-15-36(16-13-27)25-6-1-20(2-7-25)29(39)35-24-5-10-28-22(17-24)19-33-37(28)26-8-3-23(4-9-26)34-30(40)21-11-14-31-32-18-21/h1-11,14,17-19,27,38H,12-13,15-16H2,(H,34,40)(H,35,39).

What are the key properties of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide?

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide has a molecular weight of 533.59 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide is sourced from PubChem (CID 67113553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).