3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

C20H18FN3O2 — CID 155372655

IUPAC3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(c4ccccc4F)C3)c[nH]c12
InChIInChI=1S/C20H18FN3O2/c1-11-7-23-18(25)16-13(8-22-17(11)16)19(26)24-9-12-6-20(12,10-24)14-4-2-3-5-15(14)21/h2-5,7-8,12,22H,6,9-10H2,1H3,(H,23,25)
InChIKeyPGXCVKAUKSKQLI-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.72
Rot. Bonds2

About 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one

3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 155372655) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID155372655
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(c4ccccc4F)C3)c[nH]c12
InChIInChI=1S/C20H18FN3O2/c1-11-7-23-18(25)16-13(8-22-17(11)16)19(26)24-9-12-6-20(12,10-24)14-4-2-3-5-15(14)21/h2-5,7-8,12,22H,6,9-10H2,1H3,(H,23,25)
InChIKeyPGXCVKAUKSKQLI-UHFFFAOYSA-N
XLogP2.72
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one (CID 155372655) is 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is Cc1c[nH]c(=O)c2c(C(=O)N3CC4CC4(c4ccccc4F)C3)c[nH]c12.
What is the InChIKey of 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PGXCVKAUKSKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-11-7-23-18(25)16-13(8-22-17(11)16)19(26)24-9-12-6-20(12,10-24)14-4-2-3-5-15(14)21/h2-5,7-8,12,22H,6,9-10H2,1H3,(H,23,25).
What are the key properties of 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one?
3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 351.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexane-3-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155372655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).