6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C18H14ClFN4O2 — CID 137472350

IUPAC6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2cccc(Cl)c2)C3)o1
InChIInChI=1S/C18H14ClFN4O2/c1-10(20)16-22-23-17(26-16)12-6-14-15(21-7-12)9-24(18(14)25)8-11-3-2-4-13(19)5-11/h2-7,10H,8-9H2,1H3
InChIKeyQYKUDXOUODNFAM-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.97
Rot. Bonds4

About 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 137472350) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID137472350
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2cccc(Cl)c2)C3)o1
InChIInChI=1S/C18H14ClFN4O2/c1-10(20)16-22-23-17(26-16)12-6-14-15(21-7-12)9-24(18(14)25)8-11-3-2-4-13(19)5-11/h2-7,10H,8-9H2,1H3
InChIKeyQYKUDXOUODNFAM-UHFFFAOYSA-N
XLogP3.97
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 137472350) is 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(F)c1nnc(-c2cnc3c(c2)C(=O)N(Cc2cccc(Cl)c2)C3)o1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QYKUDXOUODNFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-10(20)16-22-23-17(26-16)12-6-14-15(21-7-12)9-24(18(14)25)8-11-3-2-4-13(19)5-11/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 372.79 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-3-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 137472350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).