1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone

C20H24N4O2 — CID 140830554

IUPAC1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
SMILESCOc1cc(N2CC(CC(=O)N3Cc4nc(C)cc(C)c4C3)C2)ccn1
InChIInChI=1S/C20H24N4O2/c1-13-6-14(2)22-18-12-24(11-17(13)18)20(25)7-15-9-23(10-15)16-4-5-21-19(8-16)26-3/h4-6,8,15H,7,9-12H2,1-3H3
InChIKeyUEIFAYLECLFYIS-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.47
Rot. Bonds4

About 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone

1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone (PubChem CID 140830554) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
PubChem CID140830554
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone
SMILESCOc1cc(N2CC(CC(=O)N3Cc4nc(C)cc(C)c4C3)C2)ccn1
InChIInChI=1S/C20H24N4O2/c1-13-6-14(2)22-18-12-24(11-17(13)18)20(25)7-15-9-23(10-15)16-4-5-21-19(8-16)26-3/h4-6,8,15H,7,9-12H2,1-3H3
InChIKeyUEIFAYLECLFYIS-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone?
The IUPAC name of 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) is 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone?
The canonical SMILES for 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone is COc1cc(N2CC(CC(=O)N3Cc4nc(C)cc(C)c4C3)C2)ccn1.
What is the InChIKey of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone?
The InChIKey is UEIFAYLECLFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-6-14(2)22-18-12-24(11-17(13)18)20(25)7-15-9-23(10-15)16-4-5-21-19(8-16)26-3/h4-6,8,15H,7,9-12H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone?
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]ethanone is sourced from PubChem (CID 140830554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).