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

C21H25N5O4S — CID 92630844

IUPAC1-(2-methoxyethyl)-3-methyl-7-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)c4scnc4C)CC3)nc21
InChIInChI=1S/C21H25N5O4S/c1-13-17(31-12-22-13)20(28)25-8-6-14(7-9-25)16-5-4-15-18(23-16)26(10-11-30-3)21(29)24(2)19(15)27/h4-5,12,14H,6-11H2,1-3H3
InChIKeyTZFUBKKBFCFIGG-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.53
Rot. Bonds5

About 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

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 (PubChem CID 92630844) has the molecular formula C21H25N5O4S and a molecular weight of 443.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-7-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92630844
Molecular FormulaC21H25N5O4S
Molecular Weight443.53 g/mol
Exact Mass443.16
IUPAC Name1-(2-methoxyethyl)-3-methyl-7-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)c4scnc4C)CC3)nc21
InChIInChI=1S/C21H25N5O4S/c1-13-17(31-12-22-13)20(28)25-8-6-14(7-9-25)16-5-4-15-18(23-16)26(10-11-30-3)21(29)24(2)19(15)27/h4-5,12,14H,6-11H2,1-3H3
InChIKeyTZFUBKKBFCFIGG-UHFFFAOYSA-N
XLogP1.53
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
1-(2-methoxyethyl)-3-methyl-7-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 92630868
1-(2-methoxyethyl)-3-methyl-7-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 110267048
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
1,3-dimethyl-7-[1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127251304
7-[(3S)-1-benzoylpyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124978988
1,3-dimethyl-7-[1-(pyridine-4-carbonyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 127252071
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463
7-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 124962993
1,3-dimethyl-7-[(3R)-1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 124987444
7-methoxy-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 154581868

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1c(=O)n(C)c(=O)c2ccc(C3CCN(C(=O)c4scnc4C)CC3)nc21.
What is the InChIKey of 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?
The InChIKey is TZFUBKKBFCFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S/c1-13-17(31-12-22-13)20(28)25-8-6-14(7-9-25)16-5-4-15-18(23-16)26(10-11-30-3)21(29)24(2)19(15)27/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 443.53 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92630844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).