4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole

C18H13F3N4S — CID 155388940

IUPAC4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cs1
InChIInChI=1S/C18H13F3N4S/c1-10-24-13(9-26-10)8-25-17-5-12(6-22-16(17)7-23-25)11-2-3-15(19)14(4-11)18(20)21/h2-7,9,18H,8H2,1H3
InChIKeyJDSTWOMKMHIREI-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.99
Rot. Bonds4

About 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 155388940) has the molecular formula C18H13F3N4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID155388940
Molecular FormulaC18H13F3N4S
Molecular Weight374.39 g/mol
Exact Mass374.08
IUPAC Name4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cs1
InChIInChI=1S/C18H13F3N4S/c1-10-24-13(9-26-10)8-25-17-5-12(6-22-16(17)7-23-25)11-2-3-15(19)14(4-11)18(20)21/h2-7,9,18H,8H2,1H3
InChIKeyJDSTWOMKMHIREI-UHFFFAOYSA-N
XLogP4.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 155388940) is 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cs1.
What is the InChIKey of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is JDSTWOMKMHIREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4S/c1-10-24-13(9-26-10)8-25-17-5-12(6-22-16(17)7-23-25)11-2-3-15(19)14(4-11)18(20)21/h2-7,9,18H,8H2,1H3.
What are the key properties of 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 374.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 155388940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).