3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline

C23H19FN4 — CID 156881432

IUPAC3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline
SMILESCC1(C)Cn2c(ccc2-c2ccccn2)C(c2cnc3c(F)cccc3c2)=N1
InChIInChI=1S/C23H19FN4/c1-23(2)14-28-19(18-8-3-4-11-25-18)9-10-20(28)22(27-23)16-12-15-6-5-7-17(24)21(15)26-13-16/h3-13H,14H2,1-2H3
InChIKeyWDVHIEKAUHPZED-UHFFFAOYSA-N
MW370.43 g/mol
LogP4.87
Rot. Bonds2

About 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline

3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline (PubChem CID 156881432) has the molecular formula C23H19FN4 and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline.

Molecular Properties

Compound Name3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline
PubChem CID156881432
Molecular FormulaC23H19FN4
Molecular Weight370.43 g/mol
Exact Mass370.16
IUPAC Name3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline
SMILESCC1(C)Cn2c(ccc2-c2ccccn2)C(c2cnc3c(F)cccc3c2)=N1
InChIInChI=1S/C23H19FN4/c1-23(2)14-28-19(18-8-3-4-11-25-18)9-10-20(28)22(27-23)16-12-15-6-5-7-17(24)21(15)26-13-16/h3-13H,14H2,1-2H3
InChIKeyWDVHIEKAUHPZED-UHFFFAOYSA-N
XLogP4.87
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline with MolForge

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Related Compounds

4-(8-fluoroquinolin-3-yl)-1,2,2-trimethylquinazoline
CID 167451965
4-(8-fluoroquinolin-3-yl)-2,2-dimethyl-1,3-benzothiazine
CID 165392471
7,8-dichloro-4-(8-fluoroquinolin-3-yl)-2,2-dimethyl-1,3-benzothiazine
CID 165392469
9-fluoro-5-(8-fluoroquinolin-3-yl)-2,2-dimethyl-3H-1,4-benzoxazepine
CID 67114177
8-bromo-3-(3,3-dimethyl-4H-isoquinolin-1-yl)quinoline
CID 90308670
3-(1,2-dihydropyrrolo[2,1-f][1,2,4]triazin-4-yl)-8-fluoroquinoline
CID 176667061
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
(4S)-4-benzyl-2-(8-fluoroquinolin-3-yl)-4,6,6-trimethyl-5H-1,3-oxazine
CID 146460646
(E)-but-2-enedioic acid;5-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160793
2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
CID 130408040
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline?
The IUPAC name of 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline (CID 156881432) is 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline.
What is the SMILES notation for 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline?
The canonical SMILES for 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline is CC1(C)Cn2c(ccc2-c2ccccn2)C(c2cnc3c(F)cccc3c2)=N1.
What is the InChIKey of 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline?
The InChIKey is WDVHIEKAUHPZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4/c1-23(2)14-28-19(18-8-3-4-11-25-18)9-10-20(28)22(27-23)16-12-15-6-5-7-17(24)21(15)26-13-16/h3-13H,14H2,1-2H3.
What are the key properties of 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline?
3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline has a molecular weight of 370.43 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-6-pyridin-2-yl-4H-pyrrolo[1,2-a]pyrazin-1-yl)-8-fluoroquinoline is sourced from PubChem (CID 156881432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).