7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H18F2N4O3 — CID 78048576

About 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78048576) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 78048576
• Molecular Formula: C24H18F2N4O3
• Molecular Weight: 448.43 g/mol
• Exact Mass: 448.13
• IUPAC Name: 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NC1c2ccccc2CC1O)c1ccc(F)c(NC(=O)c2cnc3cc(F)ccn23)c1
• InChI: InChI=1S/C24H18F2N4O3/c25-15-7-8-30-19(12-27-21(30)11-15)24(33)28-18-9-14(5-6-17(18)26)23(32)29-22-16-4-2-1-3-13(16)10-20(22)31/h1-9,11-12,20,22,31H,10H2,(H,28,33)(H,29,32)
• InChIKey: ZZBANBUGOBBJPW-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 95.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.43
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 78048576) is 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1c2ccccc2CC1O)c1ccc(F)c(NC(=O)c2cnc3cc(F)ccn23)c1.

What is the InChIKey of 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZZBANBUGOBBJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c25-15-7-8-30-19(12-27-21(30)11-15)24(33)28-18-9-14(5-6-17(18)26)23(32)29-22-16-4-2-1-3-13(16)10-20(22)31/h1-9,11-12,20,22,31H,10H2,(H,28,33)(H,29,32).

What are the key properties of 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78048576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).