3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C23H19FN4O2 — CID 146012410

IUPAC3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)no1
InChIInChI=1S/C23H19FN4O2/c1-14-12-18(27-30-14)13-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,12H,8,11,13H2,1H3,(H,26,29)
InChIKeyYPNMIWZBUCXDGZ-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.99
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012410) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012410
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)no1
InChIInChI=1S/C23H19FN4O2/c1-14-12-18(27-30-14)13-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,12H,8,11,13H2,1H3,(H,26,29)
InChIKeyYPNMIWZBUCXDGZ-UHFFFAOYSA-N
XLogP3.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012410) is 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)no1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YPNMIWZBUCXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14-12-18(27-30-14)13-28-19-8-11-26-23(29)21(19)20(15-2-4-17(24)5-3-15)22(28)16-6-9-25-10-7-16/h2-7,9-10,12H,8,11,13H2,1H3,(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 402.43 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).