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

C19H22N4O — CID 140830612

IUPAC1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone
SMILESCc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccncc3)C1)C2
InChIInChI=1S/C19H22N4O/c1-13-7-14(2)21-18-12-23(11-17(13)18)19(24)8-15-9-22(10-15)16-3-5-20-6-4-16/h3-7,15H,8-12H2,1-2H3
InChIKeyQPXQNADXYYSMMV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.46
Rot. Bonds3

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

1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone (PubChem CID 140830612) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone
PubChem CID140830612
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone
SMILESCc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccncc3)C1)C2
InChIInChI=1S/C19H22N4O/c1-13-7-14(2)21-18-12-23(11-17(13)18)19(24)8-15-9-22(10-15)16-3-5-20-6-4-16/h3-7,15H,8-12H2,1-2H3
InChIKeyQPXQNADXYYSMMV-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone?
The IUPAC name of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone (CID 140830612) is 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone is Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccncc3)C1)C2.
What is the InChIKey of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone?
The InChIKey is QPXQNADXYYSMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-7-14(2)21-18-12-23(11-17(13)18)19(24)8-15-9-22(10-15)16-3-5-20-6-4-16/h3-7,15H,8-12H2,1-2H3.
What are the key properties of 1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone?
1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-(1-pyridin-4-ylazetidin-3-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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-pyridin-4-ylazetidin-3-yl)ethanone is sourced from PubChem (CID 140830612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).