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

C25H27N3O3 — CID 146012434

IUPAC3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2c3c(n(CC4CCOCC4)c2-c2ccncc2)CCNC3=O)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-4-2-18(3-5-20)22-23-21(8-13-27-25(23)29)28(16-17-9-14-31-15-10-17)24(22)19-6-11-26-12-7-19/h2-7,11-12,17H,8-10,13-16H2,1H3,(H,27,29)
InChIKeyVOXQCRNXQOIODW-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.94
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012434) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012434
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2c3c(n(CC4CCOCC4)c2-c2ccncc2)CCNC3=O)cc1
InChIInChI=1S/C25H27N3O3/c1-30-20-4-2-18(3-5-20)22-23-21(8-13-27-25(23)29)28(16-17-9-14-31-15-10-17)24(22)19-6-11-26-12-7-19/h2-7,11-12,17H,8-10,13-16H2,1H3,(H,27,29)
InChIKeyVOXQCRNXQOIODW-UHFFFAOYSA-N
XLogP3.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-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-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012434) is 3-(4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is COc1ccc(-c2c3c(n(CC4CCOCC4)c2-c2ccncc2)CCNC3=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VOXQCRNXQOIODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-30-20-4-2-18(3-5-20)22-23-21(8-13-27-25(23)29)28(16-17-9-14-31-15-10-17)24(22)19-6-11-26-12-7-19/h2-7,11-12,17H,8-10,13-16H2,1H3,(H,27,29).
What are the key properties of 3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 417.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(oxan-4-ylmethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).