4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole

C20H13F2N5S — CID 58095192

IUPAC4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1
InChIInChI=1S/C20H13F2N5S/c1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14/h2-7,9-10H,8H2,1H3
InChIKeyJWKYUWVAIHUZJT-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.89
Rot. Bonds3

About 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole

4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole (PubChem CID 58095192) has the molecular formula C20H13F2N5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
PubChem CID58095192
Molecular FormulaC20H13F2N5S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Name4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1
InChIInChI=1S/C20H13F2N5S/c1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14/h2-7,9-10H,8H2,1H3
InChIKeyJWKYUWVAIHUZJT-UHFFFAOYSA-N
XLogP4.89
TPSA54.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole (CID 58095192) is 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The InChIKey is JWKYUWVAIHUZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5S/c1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14/h2-7,9-10H,8H2,1H3.
What are the key properties of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole has a molecular weight of 393.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 58095192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).