(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone

C18H23N5OS — CID 53168237

IUPAC(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCCC3)nc2n1
InChIInChI=1S/C18H23N5OS/c1-12-11-13(2)19-15-14(12)17(22-7-9-25-10-8-22)21-16(20-15)18(24)23-5-3-4-6-23/h11H,3-10H2,1-2H3
InChIKeyXSQODMAOAZWKCC-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.43
Rot. Bonds2

About (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 53168237) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID53168237
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCCC3)nc2n1
InChIInChI=1S/C18H23N5OS/c1-12-11-13(2)19-15-14(12)17(22-7-9-25-10-8-22)21-16(20-15)18(24)23-5-3-4-6-23/h11H,3-10H2,1-2H3
InChIKeyXSQODMAOAZWKCC-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71837921
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71838007
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168227
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 53168111
N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168185
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53201126
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
4-(azepan-1-yl)-5,7-dimethylpyrido[2,3-d]pyrimidine
CID 72870631

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone (CID 53168237) is (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone is Cc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCCC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is XSQODMAOAZWKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-11-13(2)19-15-14(12)17(22-7-9-25-10-8-22)21-16(20-15)18(24)23-5-3-4-6-23/h11H,3-10H2,1-2H3.
What are the key properties of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone?
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 357.48 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53168237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).