N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

C28H26FN5O4 — CID 78048611

About N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78048611) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 78048611
• Molecular Formula: C28H26FN5O4
• Molecular Weight: 515.55 g/mol
• Exact Mass: 515.20
• IUPAC Name: N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: O=C(NC1c2ccccc2CC1O)c1ccc(F)c(NC(=O)c2cnc3cc(N4CCOCC4)ccn23)c1
• InChI: InChI=1S/C28H26FN5O4/c29-21-6-5-18(27(36)32-26-20-4-2-1-3-17(20)14-24(26)35)13-22(21)31-28(37)23-16-30-25-15-19(7-8-34(23)25)33-9-11-38-12-10-33/h1-8,13,15-16,24,26,35H,9-12,14H2,(H,31,37)(H,32,36)
• InChIKey: UNHYTDIIZCFAPK-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.55
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 78048611) is N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is O=C(NC1c2ccccc2CC1O)c1ccc(F)c(NC(=O)c2cnc3cc(N4CCOCC4)ccn23)c1.

What is the InChIKey of N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is UNHYTDIIZCFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c29-21-6-5-18(27(36)32-26-20-4-2-1-3-17(20)14-24(26)35)13-22(21)31-28(37)23-16-30-25-15-19(7-8-34(23)25)33-9-11-38-12-10-33/h1-8,13,15-16,24,26,35H,9-12,14H2,(H,31,37)(H,32,36).

What are the key properties of N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 515.55 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78048611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).