[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

C20H22N4OS — CID 72858923

IUPAC[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cc(C)c2c(N3CCCC(C(=O)c4sccc4C)C3)ncnc2n1
InChIInChI=1S/C20H22N4OS/c1-12-6-8-26-18(12)17(25)15-5-4-7-24(10-15)20-16-13(2)9-14(3)23-19(16)21-11-22-20/h6,8-9,11,15H,4-5,7,10H2,1-3H3
InChIKeyUHOIVYWJAPDLSK-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.11
Rot. Bonds3

About [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone

[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 72858923) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID72858923
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1cc(C)c2c(N3CCCC(C(=O)c4sccc4C)C3)ncnc2n1
InChIInChI=1S/C20H22N4OS/c1-12-6-8-26-18(12)17(25)15-5-4-7-24(10-15)20-16-13(2)9-14(3)23-19(16)21-11-22-20/h6,8-9,11,15H,4-5,7,10H2,1-3H3
InChIKeyUHOIVYWJAPDLSK-UHFFFAOYSA-N
XLogP4.11
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72870631
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
(1R)-1-[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 97203919
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 25381246
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366
[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97194931
5,7-dimethyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine
CID 72874109
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
9-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
CID 72857697
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276
(3R)-1-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 2509845

Frequently Asked Questions

What is the IUPAC name of [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone (CID 72858923) is [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone is Cc1cc(C)c2c(N3CCCC(C(=O)c4sccc4C)C3)ncnc2n1.
What is the InChIKey of [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is UHOIVYWJAPDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-12-6-8-26-18(12)17(25)15-5-4-7-24(10-15)20-16-13(2)9-14(3)23-19(16)21-11-22-20/h6,8-9,11,15H,4-5,7,10H2,1-3H3.
What are the key properties of [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone?
[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 366.49 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 72858923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).