6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H27N5O4 — CID 136907823

IUPAC6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCc1c(C(=O)N2CCc3nc(N4CCCC(C)C4)[nH]c(=O)c3C2)noc1C
InChIInChI=1S/C20H27N5O4/c1-12-5-4-7-25(9-12)20-21-16-6-8-24(10-14(16)18(26)22-20)19(27)17-15(11-28-3)13(2)29-23-17/h12H,4-11H2,1-3H3,(H,21,22,26)
InChIKeySGRZSKMJNPHYGU-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.65
Rot. Bonds4

About 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136907823) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136907823
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCc1c(C(=O)N2CCc3nc(N4CCCC(C)C4)[nH]c(=O)c3C2)noc1C
InChIInChI=1S/C20H27N5O4/c1-12-5-4-7-25(9-12)20-21-16-6-8-24(10-14(16)18(26)22-20)19(27)17-15(11-28-3)13(2)29-23-17/h12H,4-11H2,1-3H3,(H,21,22,26)
InChIKeySGRZSKMJNPHYGU-UHFFFAOYSA-N
XLogP1.65
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(3-methylpiperidin-1-yl)-6-(5-phenyl-1H-pyrazole-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136907828
2-(3-methylpiperidin-1-yl)-6-(3-phenylpyrazolidine-4-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137266362
6-[(2-hydroxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135674454
2-cyclopropyl-8-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70752399
2-[(2R)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145708
2-[(3S)-3-methylpiperidin-1-yl]-6-[(4-morpholin-4-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136819821
6-[[4-(dimethylamino)phenyl]methyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137058276
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110159724
4-methyl-5-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 135667510
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
2-morpholin-4-yl-6-(3,4,5-trimethoxybenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135578157
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70726176

Frequently Asked Questions

What is the IUPAC name of 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136907823) is 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COCc1c(C(=O)N2CCc3nc(N4CCCC(C)C4)[nH]c(=O)c3C2)noc1C.
What is the InChIKey of 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is SGRZSKMJNPHYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-12-5-4-7-25(9-12)20-21-16-6-8-24(10-14(16)18(26)22-20)19(27)17-15(11-28-3)13(2)29-23-17/h12H,4-11H2,1-3H3,(H,21,22,26).
What are the key properties of 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]-2-(3-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136907823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).