3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C22H24N6O2 — CID 56866762

IUPAC3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNc1ncnc(C)c1C)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C22H24N6O2/c1-14-15(2)25-13-26-20(14)24-11-16-10-18-19(27-21(16)30-3)12-28(22(18)29)9-7-17-6-4-5-8-23-17/h4-6,8,10,13H,7,9,11-12H2,1-3H3,(H,24,25,26)
InChIKeyHZRDRJQSFOPIID-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.70
Rot. Bonds7

About 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56866762) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56866762
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNc1ncnc(C)c1C)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C22H24N6O2/c1-14-15(2)25-13-26-20(14)24-11-16-10-18-19(27-21(16)30-3)12-28(22(18)29)9-7-17-6-4-5-8-23-17/h4-6,8,10,13H,7,9,11-12H2,1-3H3,(H,24,25,26)
InChIKeyHZRDRJQSFOPIID-UHFFFAOYSA-N
XLogP2.70
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56869926
N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
CID 56874067
N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56873233
(2S)-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]oxolane-2-carboxamide
CID 95551848
6-ethyl-2-methoxy-3-[(7H-purin-6-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56863474
3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
CID 72869276
N-[(6-ethyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70743139
2-methoxy-6-methyl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 79375277
(4S)-4-(3-methoxyphenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112342
6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56871244
N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
CID 56865762

Frequently Asked Questions

What is the IUPAC name of 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56866762) is 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CNc1ncnc(C)c1C)C(=O)N(CCc1ccccn1)C2.
What is the InChIKey of 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HZRDRJQSFOPIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-15(2)25-13-26-20(14)24-11-16-10-18-19(27-21(16)30-3)12-28(22(18)29)9-7-17-6-4-5-8-23-17/h4-6,8,10,13H,7,9,11-12H2,1-3H3,(H,24,25,26).
What are the key properties of 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 404.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56866762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).