6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C20H19ClN4OS — CID 135945292

IUPAC6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(-c3ccc(Cl)s3)nc1)CC2
InChIInChI=1S/C20H19ClN4OS/c21-18-6-5-17(27-18)16-4-1-12(9-22-16)10-25-8-7-15-14(11-25)20(26)24-19(23-15)13-2-3-13/h1,4-6,9,13H,2-3,7-8,10-11H2,(H,23,24,26)
InChIKeyFNCZOQGNVACIBK-UHFFFAOYSA-N
MW398.92 g/mol
LogP3.98
Rot. Bonds4

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

6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945292) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945292
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(-c3ccc(Cl)s3)nc1)CC2
InChIInChI=1S/C20H19ClN4OS/c21-18-6-5-17(27-18)16-4-1-12(9-22-16)10-25-8-7-15-14(11-25)20(26)24-19(23-15)13-2-3-13/h1,4-6,9,13H,2-3,7-8,10-11H2,(H,23,24,26)
InChIKeyFNCZOQGNVACIBK-UHFFFAOYSA-N
XLogP3.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945279
6-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944532
2-cyclopropyl-6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945652
2-cyclopropyl-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945432
2-cyclohexyl-6-[(6-phenyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944455
2-cyclopropyl-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946072
6-[(2-aminopyrimidin-5-yl)methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944972
3-[5-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile
CID 135945372
6-[(6-bromo-3-pyridinyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945275
2-cyclohexyl-6-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945355
4-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 135919834
2-cyclopropyl-6-[[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945492

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945292) is 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CN(Cc1ccc(-c3ccc(Cl)s3)nc1)CC2.
What is the InChIKey of 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FNCZOQGNVACIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c21-18-6-5-17(27-18)16-4-1-12(9-22-16)10-25-8-7-15-14(11-25)20(26)24-19(23-15)13-2-3-13/h1,4-6,9,13H,2-3,7-8,10-11H2,(H,23,24,26).
What are the key properties of 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 398.92 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(5-chlorothiophen-2-yl)-3-pyridinyl]methyl]-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).