1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H21N5O3S — CID 95834547

IUPAC1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncsc1C(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21N5O3S/c1-11-15(28-10-20-11)18(26)24-9-5-4-6-14(24)13-8-7-12-16(21-13)22(2)19(27)23(3)17(12)25/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyWRURGDKIDSWZLG-AWEZNQCLSA-N
MW399.48 g/mol
LogP1.76
Rot. Bonds2

About 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 95834547) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID95834547
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ncsc1C(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C19H21N5O3S/c1-11-15(28-10-20-11)18(26)24-9-5-4-6-14(24)13-8-7-12-16(21-13)22(2)19(27)23(3)17(12)25/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyWRURGDKIDSWZLG-AWEZNQCLSA-N
XLogP1.76
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834540
3-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949266
1-(2-methoxyethyl)-3-methyl-7-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630844
7-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110267067
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124998077
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
1,3-dimethyl-7-(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 110264791
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
7-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 95834526

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 95834547) is 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WRURGDKIDSWZLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-11-15(28-10-20-11)18(26)24-9-5-4-6-14(24)13-8-7-12-16(21-13)22(2)19(27)23(3)17(12)25/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 399.48 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95834547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).