2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one

C25H25N3O3 — CID 90166977

IUPAC2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc(-c2ccc(CN3Cc4ccnc(OCC5CCCO5)c4C3=O)cc2)ccn1
InChIInChI=1S/C25H25N3O3/c1-17-13-20(8-10-26-17)19-6-4-18(5-7-19)14-28-15-21-9-11-27-24(23(21)25(28)29)31-16-22-3-2-12-30-22/h4-11,13,22H,2-3,12,14-16H2,1H3
InChIKeyCUIARWAHGOFAFC-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.17
Rot. Bonds6

About 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one

2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 90166977) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID90166977
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc(-c2ccc(CN3Cc4ccnc(OCC5CCCO5)c4C3=O)cc2)ccn1
InChIInChI=1S/C25H25N3O3/c1-17-13-20(8-10-26-17)19-6-4-18(5-7-19)14-28-15-21-9-11-27-24(23(21)25(28)29)31-16-22-3-2-12-30-22/h4-11,13,22H,2-3,12,14-16H2,1H3
InChIKeyCUIARWAHGOFAFC-UHFFFAOYSA-N
XLogP4.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 118377486
2-[(2E)-2-[(Z)-3-bromoprop-1-enyl]penta-2,4-dienyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 118401645
(2-fluoro-3-iminoprop-1-enyl)-[4-[[3-oxo-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-2-yl]methyl]cyclohepta-1,3,5-trien-1-yl]azanium
CID 163944548
1-methyl-3-[4-[4-(oxan-2-ylmethoxy)phenyl]phenoxy]pyrazin-2-one
CID 138039169
methyl 4-methyl-2-(oxolan-2-ylmethoxy)pyridine-3-carboxylate
CID 131992608
6-(1-aminoethyl)-2-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 134549704
2-[[4-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-2-fluorophenyl]methyl]-7-(oxolan-2-ylmethoxy)-3H-isoindol-1-one
CID 131992812
4-cyclohexyloxy-2-(thiophen-2-ylmethyl)-1H-pyrrolo[3,4-c]pyridin-3-one
CID 131992685
2-[(1S,2S)-2-hydroxycyclopentyl]-5-methyl-6-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3H-isoindol-1-one
CID 118468117
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
2,3-dimethyl-7-(oxolan-2-ylmethoxy)-1H-pyrrolo[2,3-c]pyridine
CID 11565020
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 90166977) is 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one is Cc1cc(-c2ccc(CN3Cc4ccnc(OCC5CCCO5)c4C3=O)cc2)ccn1.
What is the InChIKey of 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is CUIARWAHGOFAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-13-20(8-10-26-17)19-6-4-18(5-7-19)14-28-15-21-9-11-27-24(23(21)25(28)29)31-16-22-3-2-12-30-22/h4-11,13,22H,2-3,12,14-16H2,1H3.
What are the key properties of 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 415.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-(oxolan-2-ylmethoxy)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 90166977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).