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

C24H24FN3O2 — CID 146012362

IUPAC3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC1CCOCC1
InChIInChI=1S/C24H24FN3O2/c25-19-3-1-17(2-4-19)21-22-20(7-12-27-24(22)29)28(15-16-8-13-30-14-9-16)23(21)18-5-10-26-11-6-18/h1-6,10-11,16H,7-9,12-15H2,(H,27,29)
InChIKeyWMMHLIIOVLNBGG-UHFFFAOYSA-N
MW405.47 g/mol
LogP4.07
Rot. Bonds4

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

3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012362) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012362
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC1CCOCC1
InChIInChI=1S/C24H24FN3O2/c25-19-3-1-17(2-4-19)21-22-20(7-12-27-24(22)29)28(15-16-8-13-30-14-9-16)23(21)18-5-10-26-11-6-18/h1-6,10-11,16H,7-9,12-15H2,(H,27,29)
InChIKeyWMMHLIIOVLNBGG-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012362) is 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-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-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2CC1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WMMHLIIOVLNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-19-3-1-17(2-4-19)21-22-20(7-12-27-24(22)29)28(15-16-8-13-30-14-9-16)23(21)18-5-10-26-11-6-18/h1-6,10-11,16H,7-9,12-15H2,(H,27,29).
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 405.47 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).