3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C20H27N5O3 — CID 92608076

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)on1
InChIInChI=1S/C20H27N5O3/c1-24-8-3-4-14(12-24)20-21-11-15-13-25(9-7-17(15)22-20)19(26)6-5-16-10-18(27-2)23-28-16/h10-11,14H,3-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyUHUSXLXWZJKPJO-CQSZACIVSA-N
MW385.47 g/mol
LogP1.80
Rot. Bonds5

About 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 92608076) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID92608076
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCOc1cc(CCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)on1
InChIInChI=1S/C20H27N5O3/c1-24-8-3-4-14(12-24)20-21-11-15-13-25(9-7-17(15)22-20)19(26)6-5-16-10-18(27-2)23-28-16/h10-11,14H,3-9,12-13H2,1-2H3/t14-/m1/s1
InChIKeyUHUSXLXWZJKPJO-CQSZACIVSA-N
XLogP1.80
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
CID 110241432
2-(4-methoxyphenyl)-1-[2-[(3S)-1-methylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92607931
2-(3,4-dimethoxyphenyl)-1-[2-(1-methylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110245912
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 124942379
3-(4-methoxyphenyl)-1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110241526
1-[2-[(3R)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 95850645
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92605724
1-[3-(6-acetyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110243565
1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 92562741
3-(4-chlorophenyl)-1-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 110241257
1-[2-(1-methylpyrrolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110241688
3-(4-chlorophenyl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92607994

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 92608076) is 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is COc1cc(CCC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is UHUSXLXWZJKPJO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24-8-3-4-14(12-24)20-21-11-15-13-25(9-7-17(15)22-20)19(26)6-5-16-10-18(27-2)23-28-16/h10-11,14H,3-9,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 385.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-1-[2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 92608076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).