2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

C18H15FN4O — CID 155567885

IUPAC2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ccc3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C18H15FN4O/c1-11-7-13(3-4-15(11)19)14-8-17-16(20-9-14)5-6-23(17)10-18-22-21-12(2)24-18/h3-9H,10H2,1-2H3
InChIKeyRPFRKCVXNUCBIT-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.89
Rot. Bonds3

About 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 155567885) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID155567885
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2ccc3ncc(-c4ccc(F)c(C)c4)cc32)o1
InChIInChI=1S/C18H15FN4O/c1-11-7-13(3-4-15(11)19)14-8-17-16(20-9-14)5-6-23(17)10-18-22-21-12(2)24-18/h3-9H,10H2,1-2H3
InChIKeyRPFRKCVXNUCBIT-UHFFFAOYSA-N
XLogP3.89
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 155567885) is 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2ccc3ncc(-c4ccc(F)c(C)c4)cc32)o1.
What is the InChIKey of 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is RPFRKCVXNUCBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-11-7-13(3-4-15(11)19)14-8-17-16(20-9-14)5-6-23(17)10-18-22-21-12(2)24-18/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 322.34 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluoro-3-methylphenyl)pyrrolo[3,2-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 155567885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).