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

C18H13F3N4O2 — CID 155389235

IUPAC2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O2/c1-10-6-23-17(26-10)9-25-15-4-12(7-22-14(15)8-24-25)11-2-3-13(19)16(5-11)27-18(20)21/h2-8,18H,9H2,1H3
InChIKeyUJKHLNKGOGSVAT-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.18
Rot. Bonds5

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

2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 155389235) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID155389235
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O2/c1-10-6-23-17(26-10)9-25-15-4-12(7-22-14(15)8-24-25)11-2-3-13(19)16(5-11)27-18(20)21/h2-8,18H,9H2,1H3
InChIKeyUJKHLNKGOGSVAT-UHFFFAOYSA-N
XLogP4.18
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 132273299
CID 132273299
CID 118197770
CID 118197770
CID 130271649
CID 130271649
CID 132273304
CID 132273304
CID 132273335
CID 132273335
CID 132273338
CID 132273338
CID 132273350
CID 132273350
CID 155388662
CID 155388662
CID 155388697
CID 155388697
CID 155388701
CID 155388701
CID 155388710
CID 155388710
CID 155388758
CID 155388758

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole (CID 155389235) is 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1.
What is the InChIKey of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is UJKHLNKGOGSVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-10-6-23-17(26-10)9-25-15-4-12(7-22-14(15)8-24-25)11-2-3-13(19)16(5-11)27-18(20)21/h2-8,18H,9H2,1H3.
What are the key properties of 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 374.32 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 155389235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).