[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone

C20H15F4N3O2 — CID 162748774

IUPAC[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CC2C(C1)C2c1c(F)cnc2[nH]ccc12
InChIInChI=1S/C20H15F4N3O2/c21-15-7-26-18-12(5-6-25-18)17(15)16-13-8-27(9-14(13)16)19(28)10-1-3-11(4-2-10)29-20(22,23)24/h1-7,13-14,16H,8-9H2,(H,25,26)
InChIKeyXOPDEOUSPQTWGS-UHFFFAOYSA-N
MW405.35 g/mol
LogP4.09
Rot. Bonds3

About [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone

[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 162748774) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID162748774
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CC2C(C1)C2c1c(F)cnc2[nH]ccc12
InChIInChI=1S/C20H15F4N3O2/c21-15-7-26-18-12(5-6-25-18)17(15)16-13-8-27(9-14(13)16)19(28)10-1-3-11(4-2-10)29-20(22,23)24/h1-7,13-14,16H,8-9H2,(H,25,26)
InChIKeyXOPDEOUSPQTWGS-UHFFFAOYSA-N
XLogP4.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 162749049
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 162749013
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 162748993
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 162748956
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 162748964
(3-fluoro-4-methoxyphenyl)-[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]methanone
CID 162748750
[4-[(1R,12S)-7-fluoro-3,5-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraen-8-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 177182750
[4-[(1R,12R)-7-fluoro-3,5-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraen-8-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 177182744
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 116629090
[4-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 162749159
[4-(13-cyclopropyl-4-fluoro-6,8,13-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 177183069

Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone (CID 162748774) is [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)N1CC2C(C1)C2c1c(F)cnc2[nH]ccc12.
What is the InChIKey of [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is XOPDEOUSPQTWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-15-7-26-18-12(5-6-25-18)17(15)16-13-8-27(9-14(13)16)19(28)10-1-3-11(4-2-10)29-20(22,23)24/h1-7,13-14,16H,8-9H2,(H,25,26).
What are the key properties of [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone?
[6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 405.35 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 162748774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).