6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H20N4OS — CID 136707232

IUPAC6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)s1
InChIInChI=1S/C19H20N4OS/c1-12-8-15(13(2)25-12)10-23-7-5-17-16(11-23)19(24)22-18(21-17)14-4-3-6-20-9-14/h3-4,6,8-9H,5,7,10-11H2,1-2H3,(H,21,22,24)
InChIKeyJEOSKPDXZQPTMT-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.07
Rot. Bonds3

About 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136707232) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136707232
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)s1
InChIInChI=1S/C19H20N4OS/c1-12-8-15(13(2)25-12)10-23-7-5-17-16(11-23)19(24)22-18(21-17)14-4-3-6-20-9-14/h3-4,6,8-9H,5,7,10-11H2,1-2H3,(H,21,22,24)
InChIKeyJEOSKPDXZQPTMT-UHFFFAOYSA-N
XLogP3.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,3-dimethylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916755
6-[(2-hydroxy-3-methylphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917975
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943527
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707310
6-(naphthalen-1-ylmethyl)-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916495
6-[(2-bromophenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917395
6-[(2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944567
6-[(5-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947340
6-[(7-methyl-1H-indol-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861679
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917815
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943827
6-[(5-chloro-2-fluoro-3-pyridinyl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946187

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136707232) is 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(C)s1.
What is the InChIKey of 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JEOSKPDXZQPTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-8-15(13(2)25-12)10-23-7-5-17-16(11-23)19(24)22-18(21-17)14-4-3-6-20-9-14/h3-4,6,8-9H,5,7,10-11H2,1-2H3,(H,21,22,24).
What are the key properties of 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylthiophen-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136707232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).