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

C18H13F3N4O2 — CID 155389558

IUPAC5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O2/c1-10-22-7-13(26-10)9-25-16-4-12(6-23-15(16)8-24-25)11-2-3-14(19)17(5-11)27-18(20)21/h2-8,18H,9H2,1H3
InChIKeyMWIUAMBYINKHDU-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.18
Rot. Bonds5

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

5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 155389558) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID155389558
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1ncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1
InChIInChI=1S/C18H13F3N4O2/c1-10-22-7-13(26-10)9-25-16-4-12(6-23-15(16)8-24-25)11-2-3-14(19)17(5-11)27-18(20)21/h2-8,18H,9H2,1H3
InChIKeyMWIUAMBYINKHDU-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

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

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Related Compounds

US10034861, Example 1
CID 132273299
US9914731, Ex. No. 89
CID 118197770
(R)-1-(3-(3-(4-(2-fluoro-3-methylphenoxy)phenyl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyrrolidin-1-yl)prop-2-en-1-one
CID 130271649
US10034861, Example 4
CID 132273304
US10034861, Example 37
CID 132273335
US10034861, Example 38
CID 132273338
US10034861, Example 50
CID 132273350
6-[3-(Difluoromethoxy)-4-fluorophenyl]-1-[(5-methylpyridin-3-yl)methyl]pyrazolo[4,3-b]pyridine
CID 155388662
2-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 155388697
2-[[6-(2,4-Difluoro-3-methylphenyl)pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 155388701
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,3-b]pyridine
CID 155388710
5-[[6-[3-(Difluoromethoxy)-4-fluorophenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 155388758

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 155389558) is 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1ncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)o1.
What is the InChIKey of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is MWIUAMBYINKHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-10-22-7-13(26-10)9-25-16-4-12(6-23-15(16)8-24-25)11-2-3-14(19)17(5-11)27-18(20)21/h2-8,18H,9H2,1H3.
What are the key properties of 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole?
5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-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 5-[[6-[3-(difluoromethoxy)-4-fluorophenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 155389558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).