2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C18H23N5O2S — CID 136707067

IUPAC2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1
InChIInChI=1S/C18H23N5O2S/c1-11-3-6-22(7-4-11)18-20-14-9-23(8-5-13(14)16(24)21-18)17(25)15-12(2)19-10-26-15/h10-11H,3-9H2,1-2H3,(H,20,21,24)
InChIKeyCVDVCJNMHWCGHC-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.97
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707067) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707067
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ncsc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1
InChIInChI=1S/C18H23N5O2S/c1-11-3-6-22(7-4-11)18-20-14-9-23(8-5-13(14)16(24)21-18)17(25)15-12(2)19-10-26-15/h10-11H,3-9H2,1-2H3,(H,20,21,24)
InChIKeyCVDVCJNMHWCGHC-UHFFFAOYSA-N
XLogP1.97
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707067) is 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1ncsc1C(=O)N1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CVDVCJNMHWCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-11-3-6-22(7-4-11)18-20-14-9-23(8-5-13(14)16(24)21-18)17(25)15-12(2)19-10-26-15/h10-11H,3-9H2,1-2H3,(H,20,21,24).
What are the key properties of 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 373.48 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-7-(4-methyl-1,3-thiazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).