1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline

C18H13Cl2F2N3 — CID 135306237

IUPAC1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline
SMILESCC1(C)N=C(c2cnc3c(Cl)c(Cl)ccn23)c2ccccc2C1(F)F
InChIInChI=1S/C18H13Cl2F2N3/c1-17(2)18(21,22)11-6-4-3-5-10(11)15(24-17)13-9-23-16-14(20)12(19)7-8-25(13)16/h3-9H,1-2H3
InChIKeyJHVCSYLVNDUOQX-UHFFFAOYSA-N
MW380.23 g/mol
LogP5.36
Rot. Bonds1

About 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline

1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline (PubChem CID 135306237) has the molecular formula C18H13Cl2F2N3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline.

Molecular Properties

Compound Name1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline
PubChem CID135306237
Molecular FormulaC18H13Cl2F2N3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline
SMILESCC1(C)N=C(c2cnc3c(Cl)c(Cl)ccn23)c2ccccc2C1(F)F
InChIInChI=1S/C18H13Cl2F2N3/c1-17(2)18(21,22)11-6-4-3-5-10(11)15(24-17)13-9-23-16-14(20)12(19)7-8-25(13)16/h3-9H,1-2H3
InChIKeyJHVCSYLVNDUOQX-UHFFFAOYSA-N
XLogP5.36
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.23
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline?
The IUPAC name of 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline (CID 135306237) is 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline.
What is the SMILES notation for 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline?
The canonical SMILES for 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline is CC1(C)N=C(c2cnc3c(Cl)c(Cl)ccn23)c2ccccc2C1(F)F.
What is the InChIKey of 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline?
The InChIKey is JHVCSYLVNDUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F2N3/c1-17(2)18(21,22)11-6-4-3-5-10(11)15(24-17)13-9-23-16-14(20)12(19)7-8-25(13)16/h3-9H,1-2H3.
What are the key properties of 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline?
1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline has a molecular weight of 380.23 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dichloroimidazo[1,2-a]pyridin-3-yl)-4,4-difluoro-3,3-dimethylisoquinoline is sourced from PubChem (CID 135306237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).