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

C28H21ClF2N4O2 — CID 118212397

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (PubChem CID 118212397) has the molecular formula C28H21ClF2N4O2 and a molecular weight of 518.95 g/mol. Its IUPAC name is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
• PubChem CID: 118212397
• Molecular Formula: C28H21ClF2N4O2
• Molecular Weight: 518.95 g/mol
• Exact Mass: 518.13
• IUPAC Name: N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
• SMILES: O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(C(F)(F)c2ccc(Cn3ccccc3=O)cc2)c1
• InChI: InChI=1S/C28H21ClF2N4O2/c29-22-11-12-24-23(15-22)25(34-33-24)16-32-27(37)19-4-3-5-21(14-19)28(30,31)20-9-7-18(8-10-20)17-35-13-2-1-6-26(35)36/h1-15H,16-17H2,(H,32,37)(H,33,34)
• InChIKey: UKDIAGNCIPXPJZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 79.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.95
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide (CID 118212397) is N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide.

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

The canonical SMILES for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is O=C(NCc1[nH]nc2ccc(Cl)cc12)c1cccc(C(F)(F)c2ccc(Cn3ccccc3=O)cc2)c1.

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

The InChIKey is UKDIAGNCIPXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N4O2/c29-22-11-12-24-23(15-22)25(34-33-24)16-32-27(37)19-4-3-5-21(14-19)28(30,31)20-9-7-18(8-10-20)17-35-13-2-1-6-26(35)36/h1-15H,16-17H2,(H,32,37)(H,33,34).

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

N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide has a molecular weight of 518.95 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2H-indazol-3-yl)methyl]-3-[difluoro-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 118212397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).