2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C20H22N6O3 — CID 154816114

IUPAC2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCN(c3nc4ncccc4o3)C1)C2
InChIInChI=1S/C20H22N6O3/c1-12-22-15-11-26(10-14(15)19(28)23-12)17(27)8-13-4-3-7-25(9-13)20-24-18-16(29-20)5-2-6-21-18/h2,5-6,13H,3-4,7-11H2,1H3,(H,22,23,28)
InChIKeyZLYRYZNVGKAFTH-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.76
Rot. Bonds3

About 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 154816114) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID154816114
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCN(c3nc4ncccc4o3)C1)C2
InChIInChI=1S/C20H22N6O3/c1-12-22-15-11-26(10-14(15)19(28)23-12)17(27)8-13-4-3-7-25(9-13)20-24-18-16(29-20)5-2-6-21-18/h2,5-6,13H,3-4,7-11H2,1H3,(H,22,23,28)
InChIKeyZLYRYZNVGKAFTH-UHFFFAOYSA-N
XLogP1.76
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]ethanone
CID 154564115
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 155508879
ethyl 3-[[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154564373
2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 154823410
N-methyl-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 154818915
N-[(1-methylimidazol-2-yl)methyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 154566401
N-[2-(4-methyltriazol-1-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155498550
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetamide
CID 155503397
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-amine
CID 43831644
(4-methylphenyl)-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270792
2-[1-ethyl-5-[[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]methyl]-1,2,4-triazol-3-yl]acetamide
CID 154823845
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 154816114) is 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC1CCCN(c3nc4ncccc4o3)C1)C2.
What is the InChIKey of 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is ZLYRYZNVGKAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-22-15-11-26(10-14(15)19(28)23-12)17(27)8-13-4-3-7-25(9-13)20-24-18-16(29-20)5-2-6-21-18/h2,5-6,13H,3-4,7-11H2,1H3,(H,22,23,28).
What are the key properties of 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 394.44 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154816114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).