6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one

C30H29N3O3 — CID 142712871

IUPAC6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1cc(N2Cc3ccc(-c4ccc5ccccc5c4)nc3C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C30H29N3O3/c1-35-28-19-25(11-13-27(28)36-17-16-32-14-4-5-15-32)33-20-24-10-12-26(31-29(24)30(33)34)23-9-8-21-6-2-3-7-22(21)18-23/h2-3,6-13,18-19H,4-5,14-17,20H2,1H3
InChIKeyCMVZJMRSWJTHIC-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.55
Rot. Bonds7

About 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one

6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 142712871) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID142712871
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCOc1cc(N2Cc3ccc(-c4ccc5ccccc5c4)nc3C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C30H29N3O3/c1-35-28-19-25(11-13-27(28)36-17-16-32-14-4-5-15-32)33-20-24-10-12-26(31-29(24)30(33)34)23-9-8-21-6-2-3-7-22(21)18-23/h2-3,6-13,18-19H,4-5,14-17,20H2,1H3
InChIKeyCMVZJMRSWJTHIC-UHFFFAOYSA-N
XLogP5.55
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 71716477
2-(2,3-dichlorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 142712885
3-[2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-oxo-1H-isoindol-5-yl]benzene-1,2-dicarbonitrile
CID 71528960
2-(3-chloro-2-fluorophenyl)-6-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 71529006
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylimidazolidine-2,4-dione
CID 71218006
acetylene;methanol;1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(4-phenylphenoxy)-2H-pyrrol-5-one
CID 144585868
3-(4-benzylphenyl)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazolidine-2,4-dione
CID 71218001
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 71529562
1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-[(2S)-2-phenylcyclopropyl]imidazolidine-2,4-dione
CID 143398719
4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
CID 91971094
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552184

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one (CID 142712871) is 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one is COc1cc(N2Cc3ccc(-c4ccc5ccccc5c4)nc3C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is CMVZJMRSWJTHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-35-28-19-25(11-13-27(28)36-17-16-32-14-4-5-15-32)33-20-24-10-12-26(31-29(24)30(33)34)23-9-8-21-6-2-3-7-22(21)18-23/h2-3,6-13,18-19H,4-5,14-17,20H2,1H3.
What are the key properties of 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one?
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 479.58 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-naphthalen-2-yl-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 142712871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).