4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

C32H27F2N5O3 — CID 159042380

About 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (PubChem CID 159042380) has the molecular formula C32H27F2N5O3 and a molecular weight of 567.60 g/mol. Its IUPAC name is 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
• PubChem CID: 159042380
• Molecular Formula: C32H27F2N5O3
• Molecular Weight: 567.60 g/mol
• Exact Mass: 567.21
• IUPAC Name: 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
• SMILES: NC(=O)c1ncc(-c2cccc(NC(=O)N3Cc4ccc(F)cc4C3)c2F)c2c1Cc1cc(N3CCOCC3)ccc1-2
• InChI: InChI=1S/C32H27F2N5O3/c33-21-5-4-18-16-39(17-20(18)12-21)32(41)37-27-3-1-2-24(29(27)34)26-15-36-30(31(35)40)25-14-19-13-22(6-7-23(19)28(25)26)38-8-10-42-11-9-38/h1-7,12-13,15H,8-11,14,16-17H2,(H2,35,40)(H,37,41)
• InChIKey: JWFOMWFSKRJQFU-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 100.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.60
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?

The IUPAC name of 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (CID 159042380) is 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.

What is the SMILES notation for 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?

The canonical SMILES for 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is NC(=O)c1ncc(-c2cccc(NC(=O)N3Cc4ccc(F)cc4C3)c2F)c2c1Cc1cc(N3CCOCC3)ccc1-2.

What is the InChIKey of 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?

The InChIKey is JWFOMWFSKRJQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N5O3/c33-21-5-4-18-16-39(17-20(18)12-21)32(41)37-27-3-1-2-24(29(27)34)26-15-36-30(31(35)40)25-14-19-13-22(6-7-23(19)28(25)26)38-8-10-42-11-9-38/h1-7,12-13,15H,8-11,14,16-17H2,(H2,35,40)(H,37,41).

What are the key properties of 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?

4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide has a molecular weight of 567.60 g/mol, XLogP of 5.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-fluoro-3-[(5-fluoro-1,3-dihydroisoindole-2-carbonyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is sourced from PubChem (CID 159042380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).