1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C22H30N6O3 — CID 92623542

IUPAC1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCNc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C22H30N6O3/c1-13-17(14(2)31-26-13)11-20(30)28-9-6-5-7-19(28)22-24-18-12-27(15(3)29)10-8-16(18)21(23-4)25-22/h19H,5-12H2,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyHXDOPHNTSCEXGQ-IBGZPJMESA-N
MW426.52 g/mol
LogP2.32
Rot. Bonds4

About 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 92623542) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID92623542
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCNc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C22H30N6O3/c1-13-17(14(2)31-26-13)11-20(30)28-9-6-5-7-19(28)22-24-18-12-27(15(3)29)10-8-16(18)21(23-4)25-22/h19H,5-12H2,1-4H3,(H,23,24,25)/t19-/m0/s1
InChIKeyHXDOPHNTSCEXGQ-IBGZPJMESA-N
XLogP2.32
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone with MolForge

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71696038
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 53185780
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 53192951
8-[2-(3,5-Dimethyl-1,2-oxazol-4-YL)ethyl]-4-methyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193750
1-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-pyrrolidinyl]-2-(3,5-dimethyl-4-isoxazolyl)-1-ethanone
CID 71836247
N~1~-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)tetrahydro-1H-pyrrol-3-yl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
CID 71836302
6-[(5-isopropylisoxazol-3-yl)carbonyl]-N-methyl-4-(pyrrolidin-1-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 72890578
N-[(3S,4S)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3-hydroxypiperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 164632658
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110265758
2-(3,5-dimethylisoxazol-4-yl)-N-(1-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)acetamide
CID 91817810
7-{[4-(Methoxymethyl)-5-methylisoxazol-3-yl]carbonyl}-4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 56865658
2-(3,5-dimethylisoxazol-4-yl)-N-(6-(4-methylpiperidin-1-yl)pyrimidin-4-yl)acetamide
CID 71795054

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 92623542) is 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is CNc1nc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)nc2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is HXDOPHNTSCEXGQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N6O3/c1-13-17(14(2)31-26-13)11-20(30)28-9-6-5-7-19(28)22-24-18-12-27(15(3)29)10-8-16(18)21(23-4)25-22/h19H,5-12H2,1-4H3,(H,23,24,25)/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 426.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 92623542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).