5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

C18H14FN3O — CID 118585714

IUPAC5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-11-21-18(10-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2
InChIKeyJBLZELGTSAJHQB-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.92
Rot. Bonds4

About 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline

5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (PubChem CID 118585714) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
PubChem CID118585714
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline
SMILESFCCOc1cccc2cnc(-n3ccc4ccncc43)cc12
InChIInChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-11-21-18(10-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2
InChIKeyJBLZELGTSAJHQB-UHFFFAOYSA-N
XLogP3.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-(3-Phenoxybenzyl)amino-|A-carboline
CID 56666556
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
2-(3-Methoxy-4-pyridin-2-ylphenyl)imidazo(1,2-a)pyridine
CID 10380127
3-(1-Cyclopropylpropyl)-2-ethyl-7-(4-methoxy-2-methylphenyl)imidazo[4,5-b]pyridine
CID 44329913
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
2-Ethyl-7-(4-methoxy-2,5-dimethylphenyl)-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458897
2-Ethyl-7-(4-methoxy-2-methylphenyl)-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458969
1-[(3-Methoxyphenyl)methyl]-4-(4-methoxypiperidin-1-yl)pyrrolo[3,2-c]quinoline
CID 168278046
7-Methyl-2-[2-methyl-4-(3-piperidin-1-yl-propoxy)-phenyl]-imidazo[1,2-a]pyridine
CID 10270093
8-methoxy-2-methyl-1-(2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
CID 10386517

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The IUPAC name of 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline (CID 118585714) is 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline.
What is the SMILES notation for 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The canonical SMILES for 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is FCCOc1cccc2cnc(-n3ccc4ccncc43)cc12.
What is the InChIKey of 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
The InChIKey is JBLZELGTSAJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-6-9-23-17-3-1-2-14-11-21-18(10-15(14)17)22-8-5-13-4-7-20-12-16(13)22/h1-5,7-8,10-12H,6,9H2.
What are the key properties of 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline?
5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline has a molecular weight of 307.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-3-pyrrolo[2,3-c]pyridin-1-ylisoquinoline is sourced from PubChem (CID 118585714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).