[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite

C17H12F3N5S — CID 134202721

IUPAC[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2nn(SF)c(C(F)F)c2-c2ccc3nccn3c2)n1
InChIInChI=1S/C17H12F3N5S/c1-10-3-2-4-12(22-10)15-14(16(17(18)19)25(23-15)26-20)11-5-6-13-21-7-8-24(13)9-11/h2-9,17H,1H3
InChIKeyJQJRZHWPLLSQDX-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.89
Rot. Bonds4

About [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite

[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite (PubChem CID 134202721) has the molecular formula C17H12F3N5S and a molecular weight of 375.38 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
PubChem CID134202721
Molecular FormulaC17H12F3N5S
Molecular Weight375.38 g/mol
Exact Mass375.08
IUPAC Name[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite
SMILESCc1cccc(-c2nn(SF)c(C(F)F)c2-c2ccc3nccn3c2)n1
InChIInChI=1S/C17H12F3N5S/c1-10-3-2-4-12(22-10)15-14(16(17(18)19)25(23-15)26-20)11-5-6-13-21-7-8-24(13)9-11/h2-9,17H,1H3
InChIKeyJQJRZHWPLLSQDX-UHFFFAOYSA-N
XLogP4.89
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite (CID 134202721) is [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite is Cc1cccc(-c2nn(SF)c(C(F)F)c2-c2ccc3nccn3c2)n1.
What is the InChIKey of [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
The InChIKey is JQJRZHWPLLSQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5S/c1-10-3-2-4-12(22-10)15-14(16(17(18)19)25(23-15)26-20)11-5-6-13-21-7-8-24(13)9-11/h2-9,17H,1H3.
What are the key properties of [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite?
[5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite has a molecular weight of 375.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-imidazo[1,2-a]pyridin-6-yl-3-(6-methyl-2-pyridinyl)pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 134202721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).