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

C18H13F3N4S — CID 155389050

IUPAC2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C18H13F3N4S/c1-10-6-23-17(26-10)9-25-16-5-12(7-22-15(16)8-24-25)11-2-3-14(19)13(4-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyBRMVVOMMFAWNIQ-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.99
Rot. Bonds4

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

2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (PubChem CID 155389050) has the molecular formula C18H13F3N4S and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
PubChem CID155389050
Molecular FormulaC18H13F3N4S
Molecular Weight374.39 g/mol
Exact Mass374.08
IUPAC Name2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1
InChIInChI=1S/C18H13F3N4S/c1-10-6-23-17(26-10)9-25-16-5-12(7-22-15(16)8-24-25)11-2-3-14(19)13(4-11)18(20)21/h2-8,18H,9H2,1H3
InChIKeyBRMVVOMMFAWNIQ-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 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole (CID 155389050) is 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole is Cc1cnc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)s1.
What is the InChIKey of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
The InChIKey is BRMVVOMMFAWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4S/c1-10-6-23-17(26-10)9-25-16-5-12(7-22-15(16)8-24-25)11-2-3-14(19)13(4-11)18(20)21/h2-8,18H,9H2,1H3.
What are the key properties of 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole?
2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-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 2-[[6-[3-(difluoromethyl)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 155389050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).