[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite

C20H13F2N5S — CID 134202715

IUPAC[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(SF)c3C3CC3)cn12
InChIInChI=1S/C20H13F2N5S/c21-15-6-3-12(4-7-15)19-18(20(13-1-2-13)27(25-19)28-22)14-5-8-17-24-10-16(9-23)26(17)11-14/h3-8,10-11,13H,1-2H2
InChIKeySZQQHIZVUPTDQT-UHFFFAOYSA-N
MW393.42 g/mol
LogP5.13
Rot. Bonds4

About [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite

[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite (PubChem CID 134202715) has the molecular formula C20H13F2N5S and a molecular weight of 393.42 g/mol. Its IUPAC name is [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite
PubChem CID134202715
Molecular FormulaC20H13F2N5S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Name[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite
SMILESN#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(SF)c3C3CC3)cn12
InChIInChI=1S/C20H13F2N5S/c21-15-6-3-12(4-7-15)19-18(20(13-1-2-13)27(25-19)28-22)14-5-8-17-24-10-16(9-23)26(17)11-14/h3-8,10-11,13H,1-2H2
InChIKeySZQQHIZVUPTDQT-UHFFFAOYSA-N
XLogP5.13
TPSA58.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 139509392
6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 151926075
6-[5-cyclopropyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 134201753
6-[8-amino-6-(4-fluorophenyl)tetrazolo[1,5-a]pyrazin-5-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 168758967
6-[3-cyclopropyl-5-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-fluoroimidazo[1,2-a]pyridine
CID 134201731
ethyl 6-[5-cyclopropyl-3-(4-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylate
CID 153434238
6-[2-(3-fluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 90095249
6-[5-methyl-3-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 134201704
[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-[6-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl] thiohypofluorite;ethane
CID 145448859
6-[5-(4-fluorophenyl)-3-(2-hydroxycyclohexyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510553
6-[5-fluoro-2-(6-methyl-2-pyridinyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 122478654
6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 153434198

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite?
The IUPAC name of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite (CID 134202715) is [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite.
What is the SMILES notation for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite?
The canonical SMILES for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite is N#Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nn(SF)c3C3CC3)cn12.
What is the InChIKey of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite?
The InChIKey is SZQQHIZVUPTDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5S/c21-15-6-3-12(4-7-15)19-18(20(13-1-2-13)27(25-19)28-22)14-5-8-17-24-10-16(9-23)26(17)11-14/h3-8,10-11,13H,1-2H2.
What are the key properties of [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite?
[4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite has a molecular weight of 393.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-5-cyclopropyl-3-(4-fluorophenyl)pyrazol-1-yl] thiohypofluorite is sourced from PubChem (CID 134202715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).