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

C19H16F2N4O — CID 155388969

IUPAC3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)no1
InChIInChI=1S/C19H16F2N4O/c1-12-6-16(24-26-12)11-25-18-8-14(9-22-17(18)10-23-25)13-4-3-5-15(7-13)19(2,20)21/h3-10H,11H2,1-2H3
InChIKeyMUBFTZYNHSEDOG-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.55
Rot. Bonds4

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

3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 155388969) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID155388969
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)no1
InChIInChI=1S/C19H16F2N4O/c1-12-6-16(24-26-12)11-25-18-8-14(9-22-17(18)10-23-25)13-4-3-5-15(7-13)19(2,20)21/h3-10H,11H2,1-2H3
InChIKeyMUBFTZYNHSEDOG-UHFFFAOYSA-N
XLogP4.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 155388969) is 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2ncc3ncc(-c4cccc(C(C)(F)F)c4)cc32)no1.
What is the InChIKey of 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is MUBFTZYNHSEDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-12-6-16(24-26-12)11-25-18-8-14(9-22-17(18)10-23-25)13-4-3-5-15(7-13)19(2,20)21/h3-10H,11H2,1-2H3.
What are the key properties of 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 354.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(1,1-difluoroethyl)phenyl]pyrazolo[4,5-b]pyridin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 155388969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).