6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H19Cl2N3O3S — CID 157027496

About 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 157027496) has the molecular formula C22H19Cl2N3O3S and a molecular weight of 476.39 g/mol. Its IUPAC name is 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 157027496
• Molecular Formula: C22H19Cl2N3O3S
• Molecular Weight: 476.39 g/mol
• Exact Mass: 475.05
• IUPAC Name: 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C([C@H](O)c1cccc(Cl)c1)N1CCc2nc(C3(c4ccc(Cl)s4)CC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C22H19Cl2N3O3S/c23-13-3-1-2-12(10-13)18(28)20(30)27-9-6-15-14(11-27)19(29)26-21(25-15)22(7-8-22)16-4-5-17(24)31-16/h1-5,10,18,28H,6-9,11H2,(H,25,26,29)/t18-/m1/s1
• InChIKey: UBBWFXCODSCYEP-GOSISDBHSA-N
• XLogP: 3.84
• TPSA: 86.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.39
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 157027496) is 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C([C@H](O)c1cccc(Cl)c1)N1CCc2nc(C3(c4ccc(Cl)s4)CC3)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is UBBWFXCODSCYEP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3S/c23-13-3-1-2-12(10-13)18(28)20(30)27-9-6-15-14(11-27)19(29)26-21(25-15)22(7-8-22)16-4-5-17(24)31-16/h1-5,10,18,28H,6-9,11H2,(H,25,26,29)/t18-/m1/s1.

What are the key properties of 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 476.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]-2-[1-(5-chlorothiophen-2-yl)cyclopropyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 157027496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).