N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide

C29H25ClN4O3 — CID 118212489

About N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide (PubChem CID 118212489) has the molecular formula C29H25ClN4O3 and a molecular weight of 513.00 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide
• PubChem CID: 118212489
• Molecular Formula: C29H25ClN4O3
• Molecular Weight: 513.00 g/mol
• Exact Mass: 512.16
• IUPAC Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide
• SMILES: CC(O)(c1ccc(Cn2ccccc2=O)cc1)c1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1
• InChI: InChI=1S/C29H25ClN4O3/c1-29(37,21-10-8-19(9-11-21)18-34-14-3-2-7-27(34)35)22-6-4-5-20(15-22)28(36)31-17-26-24-16-23(30)12-13-25(24)32-33-26/h2-16,37H,17-18H2,1H3,(H,31,36)(H,32,33)
• InChIKey: GGNHESKGXVMBPL-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 100.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.00
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide?

The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide (CID 118212489) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide.

What is the SMILES notation for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide?

The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide is CC(O)(c1ccc(Cn2ccccc2=O)cc1)c1cccc(C(=O)NCc2[nH]nc3ccc(Cl)cc23)c1.

What is the InChIKey of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide?

The InChIKey is GGNHESKGXVMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4O3/c1-29(37,21-10-8-19(9-11-21)18-34-14-3-2-7-27(34)35)22-6-4-5-20(15-22)28(36)31-17-26-24-16-23(30)12-13-25(24)32-33-26/h2-16,37H,17-18H2,1H3,(H,31,36)(H,32,33).

What are the key properties of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide?

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide has a molecular weight of 513.00 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[1-hydroxy-1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 118212489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).