3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole

C17H23N5O3S — CID 92605838

IUPAC3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C17H23N5O3S/c1-11-16(12(2)25-21-11)26(23,24)22-8-5-15-14(10-22)9-19-17(20-15)13-3-6-18-7-4-13/h9,13,18H,3-8,10H2,1-2H3
InChIKeyPOKCDOQSZONPCM-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.30
Rot. Bonds3

About 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole

3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole (PubChem CID 92605838) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
PubChem CID92605838
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1
InChIInChI=1S/C17H23N5O3S/c1-11-16(12(2)25-21-11)26(23,24)22-8-5-15-14(10-22)9-19-17(20-15)13-3-6-18-7-4-13/h9,13,18H,3-8,10H2,1-2H3
InChIKeyPOKCDOQSZONPCM-UHFFFAOYSA-N
XLogP1.30
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole 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

6-(4-chlorophenyl)sulfonyl-2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92570262
3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
CID 53185454
N-[[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]methyl]methanesulfonamide
CID 155916239
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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707261
4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 31193670
phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92574070
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92605224
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 92605223
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
4-(3,9-diazabicyclo[4.2.1]nonan-9-ylsulfonyl)-3,5-dimethyl-1,2-oxazole
CID 120719401

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole (CID 92605838) is 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCc2nc(C3CCNCC3)ncc2C1.
What is the InChIKey of 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole?
The InChIKey is POKCDOQSZONPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-11-16(12(2)25-21-11)26(23,24)22-8-5-15-14(10-22)9-19-17(20-15)13-3-6-18-7-4-13/h9,13,18H,3-8,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole?
3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole has a molecular weight of 377.47 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole is sourced from PubChem (CID 92605838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).