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

C20H23ClN4O3 — CID 174288867

IUPAC3-chloro-6-[2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCOc1cc(N2CC(CC(=O)N3Cc4c(C)c(Cl)c(=O)n(C)c4C3)C2)ccn1
InChIInChI=1S/C20H23ClN4O3/c1-12-15-10-25(11-16(15)23(2)20(27)19(12)21)18(26)6-13-8-24(9-13)14-4-5-22-17(7-14)28-3/h4-5,7,13H,6,8-11H2,1-3H3
InChIKeyRTOOMYYMGLNXKI-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.12
Rot. Bonds4

About 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

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 (PubChem CID 174288867) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-chloro-6-[2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
PubChem CID174288867
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name3-chloro-6-[2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetyl]-1,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
SMILESCOc1cc(N2CC(CC(=O)N3Cc4c(C)c(Cl)c(=O)n(C)c4C3)C2)ccn1
InChIInChI=1S/C20H23ClN4O3/c1-12-15-10-25(11-16(15)23(2)20(27)19(12)21)18(26)6-13-8-24(9-13)14-4-5-22-17(7-14)28-3/h4-5,7,13H,6,8-11H2,1-3H3
InChIKeyRTOOMYYMGLNXKI-UHFFFAOYSA-N
XLogP2.12
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-1,4-dimethyl-6-[2-(1-pyridazin-4-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808561
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
1,3,4-trimethyl-6-[2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808656
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
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
lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
CID 171808777
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
1,4-dimethyl-6-[2-(1-pyridin-2-ylazetidin-3-yl)acetyl]-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808517
1-(2-chloro-4-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[1-(2-fluoro-4-pyridinyl)azetidin-3-yl]ethanone
CID 176943887
2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
CID 116682028
methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
CID 172578180
1-(2-cyclopropyl-4-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]azetidin-3-yl]ethanone
CID 171808818

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(N2CC(CC(=O)N3Cc4c(C)c(Cl)c(=O)n(C)c4C3)C2)ccn1.
What is the InChIKey of 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?
The InChIKey is RTOOMYYMGLNXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-12-15-10-25(11-16(15)23(2)20(27)19(12)21)18(26)6-13-8-24(9-13)14-4-5-22-17(7-14)28-3/h4-5,7,13H,6,8-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 402.88 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174288867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).