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

C31H28N6O3 — CID 67114039

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

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 67114039) has the molecular formula C31H28N6O3 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
• PubChem CID: 67114039
• Molecular Formula: C31H28N6O3
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.22
• IUPAC Name: N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccncc1
• InChI: InChI=1S/C31H28N6O3/c38-28-13-17-36(18-14-28)26-6-1-21(2-7-26)30(39)35-25-5-10-29-23(19-25)20-33-37(29)27-8-3-24(4-9-27)34-31(40)22-11-15-32-16-12-22/h1-12,15-16,19-20,28,38H,13-14,17-18H2,(H,34,40)(H,35,39)
• InChIKey: IUDVOEYMIKHPRG-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 112.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide (CID 67114039) is N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(-n2ncc3cc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccncc1.

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

The InChIKey is IUDVOEYMIKHPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O3/c38-28-13-17-36(18-14-28)26-6-1-21(2-7-26)30(39)35-25-5-10-29-23(19-25)20-33-37(29)27-8-3-24(4-9-27)34-31(40)22-11-15-32-16-12-22/h1-12,15-16,19-20,28,38H,13-14,17-18H2,(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]pyridine-4-carboxamide?

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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]pyridine-4-carboxamide is sourced from PubChem (CID 67114039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).