(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one

C20H28N4O3 — CID 92582937

IUPAC(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one
SMILESCN1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)OC2(C)C)C3)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2)15(10-17(25)27-20)19(26)24-9-6-16-14(12-24)11-21-18(22-16)13-4-7-23(3)8-5-13/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1
InChIKeyVJVISVDEUMPIFK-OAHLLOKOSA-N
MW372.47 g/mol
LogP1.51
Rot. Bonds2

About (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one

(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one (PubChem CID 92582937) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one
PubChem CID92582937
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one
SMILESCN1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)OC2(C)C)C3)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2)15(10-17(25)27-20)19(26)24-9-6-16-14(12-24)11-21-18(22-16)13-4-7-23(3)8-5-13/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1
InChIKeyVJVISVDEUMPIFK-OAHLLOKOSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,5-dimethyl-4-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)oxolan-2-one
CID 110241037
4-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)-1-oxaspiro[4.5]decan-2-one
CID 110241772
4-(azepan-1-yl)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 92607989
1-[4-[6-(cyclopentanecarbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92548990
[4-(dimethylamino)phenyl]-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92608012
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92588116
(4-methoxycyclohexyl)-[2-[(3S)-1-methylpyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 98135713
tert-butyl 2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86767357
1-[4-[6-(oxane-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110241803
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
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
(2-methoxy-3-methylphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92561347

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one?
The IUPAC name of (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one (CID 92582937) is (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one.
What is the SMILES notation for (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one?
The canonical SMILES for (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one is CN1CCC(c2ncc3c(n2)CCN(C(=O)[C@H]2CC(=O)OC2(C)C)C3)CC1.
What is the InChIKey of (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one?
The InChIKey is VJVISVDEUMPIFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2)15(10-17(25)27-20)19(26)24-9-6-16-14(12-24)11-21-18(22-16)13-4-7-23(3)8-5-13/h11,13,15H,4-10,12H2,1-3H3/t15-/m1/s1.
What are the key properties of (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one?
(4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one has a molecular weight of 372.47 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]oxolan-2-one is sourced from PubChem (CID 92582937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).