6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H28N4O3S — CID 136763426

About 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136763426) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136763426
• Molecular Formula: C22H28N4O3S
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.19
• IUPAC Name: 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1
• InChI: InChI=1S/C22H28N4O3S/c1-14-6-10-30-19(14)12-25-8-4-17-16(11-25)21(27)24-20(23-17)18-3-2-7-26(18)22(28)15-5-9-29-13-15/h6,10,15,18H,2-5,7-9,11-13H2,1H3,(H,23,24,27)/t15-,18-/m1/s1
• InChIKey: LLHPURFMCDPYMB-CRAIPNDOSA-N
• XLogP: 2.40
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136763426) is 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccsc1CN1CCc2nc([C@H]3CCCN3C(=O)[C@@H]3CCOC3)[nH]c(=O)c2C1.

What is the InChIKey of 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is LLHPURFMCDPYMB-CRAIPNDOSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-14-6-10-30-19(14)12-25-8-4-17-16(11-25)21(27)24-20(23-17)18-3-2-7-26(18)22(28)15-5-9-29-13-15/h6,10,15,18H,2-5,7-9,11-13H2,1H3,(H,23,24,27)/t15-,18-/m1/s1.

What are the key properties of 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 428.56 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-methylthiophen-2-yl)methyl]-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136763426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).