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

C31H28F5N5O3 — CID 172580994

IUPAC6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCOCC1c1cc2c(C(F)(F)F)cn(-c3cc(-c4ccc(F)cc4C(=O)N4CC(F)C4)cc(C4CC4)n3)c(=O)c2[nH]1
InChIInChI=1S/C31H28F5N5O3/c1-39-6-7-44-15-26(39)25-11-22-23(31(34,35)36)14-41(30(43)28(22)38-25)27-9-17(8-24(37-27)16-2-3-16)20-5-4-18(32)10-21(20)29(42)40-12-19(33)13-40/h4-5,8-11,14,16,19,26,38H,2-3,6-7,12-13,15H2,1H3
InChIKeyFVHPKUUXOBUFMD-UHFFFAOYSA-N
MW613.59 g/mol
LogP5.21
Rot. Bonds5

About 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-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-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172580994) has the molecular formula C31H28F5N5O3 and a molecular weight of 613.59 g/mol. Its IUPAC name is 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172580994
Molecular FormulaC31H28F5N5O3
Molecular Weight613.59 g/mol
Exact Mass613.21
IUPAC Name6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCN1CCOCC1c1cc2c(C(F)(F)F)cn(-c3cc(-c4ccc(F)cc4C(=O)N4CC(F)C4)cc(C4CC4)n3)c(=O)c2[nH]1
InChIInChI=1S/C31H28F5N5O3/c1-39-6-7-44-15-26(39)25-11-22-23(31(34,35)36)14-41(30(43)28(22)38-25)27-9-17(8-24(37-27)16-2-3-16)20-5-4-18(32)10-21(20)29(42)40-12-19(33)13-40/h4-5,8-11,14,16,19,26,38H,2-3,6-7,12-13,15H2,1H3
InChIKeyFVHPKUUXOBUFMD-UHFFFAOYSA-N
XLogP5.21
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.59
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-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-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172580994) is 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-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-(4-methylmorpholin-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-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is CN1CCOCC1c1cc2c(C(F)(F)F)cn(-c3cc(-c4ccc(F)cc4C(=O)N4CC(F)C4)cc(C4CC4)n3)c(=O)c2[nH]1.
What is the InChIKey of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FVHPKUUXOBUFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F5N5O3/c1-39-6-7-44-15-26(39)25-11-22-23(31(34,35)36)14-41(30(43)28(22)38-25)27-9-17(8-24(37-27)16-2-3-16)20-5-4-18(32)10-21(20)29(42)40-12-19(33)13-40/h4-5,8-11,14,16,19,26,38H,2-3,6-7,12-13,15H2,1H3.
What are the key properties of 6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-2-(4-methylmorpholin-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-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 613.59 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 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-(4-methylmorpholin-3-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172580994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).