1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

C19H22N4O2 — CID 171808517

IUPAC1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(C)c2c1CN(C(=O)CC1CN(c3ccccn3)C1)C2
InChIInChI=1S/C19H22N4O2/c1-13-7-18(24)21(2)16-12-23(11-15(13)16)19(25)8-14-9-22(10-14)17-5-3-4-6-20-17/h3-7,14H,8-12H2,1-2H3
InChIKeyJZRHPUIEFBBANI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.46
Rot. Bonds3

About 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one

1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (PubChem CID 171808517) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID171808517
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCc1cc(=O)n(C)c2c1CN(C(=O)CC1CN(c3ccccn3)C1)C2
InChIInChI=1S/C19H22N4O2/c1-13-7-18(24)21(2)16-12-23(11-15(13)16)19(25)8-14-9-22(10-14)17-5-3-4-6-20-17/h3-7,14H,8-12H2,1-2H3
InChIKeyJZRHPUIEFBBANI-UHFFFAOYSA-N
XLogP1.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[1-[2-(1,1-difluoroethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808466
1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-pyridin-2-ylazetidin-3-yl)ethanone
CID 176943896
2-cyclopropyl-4-[3-[2-(1,4-dimethyl-2-oxo-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-oxoethyl]azetidin-1-yl]-6-(trifluoromethyl)benzonitrile
CID 171808442
1,3,4-trimethyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808656
3-chloro-6-[2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 174288867
6-[2-[1-(2,3-difluorophenyl)azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808500
6-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 75769113
2-[1-(2-bromo-4-pyridinyl)azetidin-3-yl]-1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 172578132
3-chloro-1,4-dimethyl-6-[2-[1-[3-(trifluoromethyl)phenyl]azetidin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808454
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
CID 140830554
(3R)-1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]azepan-2-one
CID 164640933
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The IUPAC name of 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one (CID 171808517) is 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The canonical SMILES for 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is Cc1cc(=O)n(C)c2c1CN(C(=O)CC1CN(c3ccccn3)C1)C2.
What is the InChIKey of 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
The InChIKey is JZRHPUIEFBBANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-7-18(24)21(2)16-12-23(11-15(13)16)19(25)8-14-9-22(10-14)17-5-3-4-6-20-17/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one?
1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one is sourced from PubChem (CID 171808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).