1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

C19H16FN3O2 — CID 75374002

IUPAC1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cnc(Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)o1
InChIInChI=1S/C19H16FN3O2/c1-13-10-21-17(25-13)12-23-9-7-14-6-8-22(18(14)19(23)24)11-15-4-2-3-5-16(15)20/h2-10H,11-12H2,1H3
InChIKeyOPTUANWBHZBUJJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.34
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one

1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (PubChem CID 75374002) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
PubChem CID75374002
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one
SMILESCc1cnc(Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)o1
InChIInChI=1S/C19H16FN3O2/c1-13-10-21-17(25-13)12-23-9-7-14-6-8-22(18(14)19(23)24)11-15-4-2-3-5-16(15)20/h2-10H,11-12H2,1H3
InChIKeyOPTUANWBHZBUJJ-UHFFFAOYSA-N
XLogP3.34
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one (CID 75374002) is 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is Cc1cnc(Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)o1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OPTUANWBHZBUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-13-10-21-17(25-13)12-23-9-7-14-6-8-22(18(14)19(23)24)11-15-4-2-3-5-16(15)20/h2-10H,11-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one?
1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 337.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 75374002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).