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

C20H13F2N5S — CID 58095147

IUPAC4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccc(F)cc2F)c(C2=NN=CC2)s1
InChIInChI=1S/C20H13F2N5S/c1-11-17(16-4-2-3-9-27(16)26-11)20-24-18(13-6-5-12(21)10-14(13)22)19(28-20)15-7-8-23-25-15/h2-6,8-10H,7H2,1H3
InChIKeyHXJZTJBYGVAVCA-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.89
Rot. Bonds3

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

4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole (PubChem CID 58095147) has the molecular formula C20H13F2N5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
PubChem CID58095147
Molecular FormulaC20H13F2N5S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Name4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccc(F)cc2F)c(C2=NN=CC2)s1
InChIInChI=1S/C20H13F2N5S/c1-11-17(16-4-2-3-9-27(16)26-11)20-24-18(13-6-5-12(21)10-14(13)22)19(28-20)15-7-8-23-25-15/h2-6,8-10H,7H2,1H3
InChIKeyHXJZTJBYGVAVCA-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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Related Compounds

US11608337, Example 40
CID 132085886
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
(E)-2-(1,3-benzothiazol-2-yl)-3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enenitrile
CID 6089311
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-4-ylpiperazine
CID 16190348
US9790203, Example 17
CID 76283385
US20230339900, Example 118
CID 162760816
US20230339900, Example 145
CID 162760955

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole (CID 58095147) is 4-(2,4-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-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccc(F)cc2F)c(C2=NN=CC2)s1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
The InChIKey is HXJZTJBYGVAVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5S/c1-11-17(16-4-2-3-9-27(16)26-11)20-24-18(13-6-5-12(21)10-14(13)22)19(28-20)15-7-8-23-25-15/h2-6,8-10H,7H2,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole?
4-(2,4-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-(2,4-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 58095147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).