6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

C30H26F5N5O3 — CID 172580954

About 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one

6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172580954) has the molecular formula C30H26F5N5O3 and a molecular weight of 599.56 g/mol. Its IUPAC name is 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 172580954
• Molecular Formula: C30H26F5N5O3
• Molecular Weight: 599.56 g/mol
• Exact Mass: 599.20
• IUPAC Name: 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
• SMILES: O=C(c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C(F)(F)F)c3cc(C4COCCN4)[nH]c3c2=O)c1)N1CC(F)C1
• InChI: InChI=1S/C30H26F5N5O3/c31-17-3-4-19(20(9-17)28(41)39-11-18(32)12-39)16-7-23(15-1-2-15)37-26(8-16)40-13-22(30(33,34)35)21-10-24(38-27(21)29(40)42)25-14-43-6-5-36-25/h3-4,7-10,13,15,18,25,36,38H,1-2,5-6,11-12,14H2
• InChIKey: LIYYTBDDHCBHCI-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.56
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172580954) is 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is O=C(c1cc(F)ccc1-c1cc(C2CC2)nc(-n2cc(C(F)(F)F)c3cc(C4COCCN4)[nH]c3c2=O)c1)N1CC(F)C1.

What is the InChIKey of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is LIYYTBDDHCBHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F5N5O3/c31-17-3-4-19(20(9-17)28(41)39-11-18(32)12-39)16-7-23(15-1-2-15)37-26(8-16)40-13-22(30(33,34)35)21-10-24(38-27(21)29(40)42)25-14-43-6-5-36-25/h3-4,7-10,13,15,18,25,36,38H,1-2,5-6,11-12,14H2.

What are the key properties of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?

6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 599.56 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-morpholin-3-yl-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172580954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).