(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

C19H17F4N3 — CID 154698875

IUPAC(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESFc1cc(F)c(F)c([C@H]2CC3=C(CCc4ccccn4)NCN3C2)c1F
InChIInChI=1S/C19H17F4N3/c20-13-8-14(21)19(23)17(18(13)22)11-7-16-15(25-10-26(16)9-11)5-4-12-3-1-2-6-24-12/h1-3,6,8,11,25H,4-5,7,9-10H2/t11-/m0/s1
InChIKeyKMJWLXLGCCQSHZ-NSHDSACASA-N
MW363.36 g/mol
LogP3.83
Rot. Bonds4

About (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole

(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (PubChem CID 154698875) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
PubChem CID154698875
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
SMILESFc1cc(F)c(F)c([C@H]2CC3=C(CCc4ccccn4)NCN3C2)c1F
InChIInChI=1S/C19H17F4N3/c20-13-8-14(21)19(23)17(18(13)22)11-7-16-15(25-10-26(16)9-11)5-4-12-3-1-2-6-24-12/h1-3,6,8,11,25H,4-5,7,9-10H2/t11-/m0/s1
InChIKeyKMJWLXLGCCQSHZ-NSHDSACASA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole with MolForge

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Related Compounds

(6R)-6-(3-bromo-2,6-difluorophenyl)-1-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole
CID 142754813
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294
2-[2-(2H-pyridin-1-yl)ethyl]pyridine
CID 70473829
2-(2-fluoroethyl)pyridine
CID 23246235
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
1-methyl-6-(2-pyridin-2-ylethyl)-4-(2,4,5-trifluorophenyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42789177
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
1-(2-pyridin-2-ylethyl)piperidine-3,4,5-triol
CID 157038979
3,5-dimethyl-1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797272
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole (CID 154698875) is (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is Fc1cc(F)c(F)c([C@H]2CC3=C(CCc4ccccn4)NCN3C2)c1F.
What is the InChIKey of (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
The InChIKey is KMJWLXLGCCQSHZ-NSHDSACASA-N. The full InChI is InChI=1S/C19H17F4N3/c20-13-8-14(21)19(23)17(18(13)22)11-7-16-15(25-10-26(16)9-11)5-4-12-3-1-2-6-24-12/h1-3,6,8,11,25H,4-5,7,9-10H2/t11-/m0/s1.
What are the key properties of (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole?
(6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole has a molecular weight of 363.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(2-pyridin-2-ylethyl)-6-(2,3,5,6-tetrafluorophenyl)-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 154698875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).