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

C20H22N4OS — CID 135947180

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

2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947180) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135947180
• Molecular Formula: C20H22N4OS
• Molecular Weight: 366.49 g/mol
• Exact Mass: 366.15
• IUPAC Name: 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: CC(C)c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1-c1ccsc1)CC2
• InChI: InChI=1S/C20H22N4OS/c1-13(2)19-22-17-5-8-24(11-16(17)20(25)23-19)10-14-4-3-7-21-18(14)15-6-9-26-12-15/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3,(H,22,23,25)
• InChIKey: GPQUAHYIAVFDHX-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.49
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947180) is 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)c1nc2c(c(=O)[nH]1)CN(Cc1cccnc1-c1ccsc1)CC2.

What is the InChIKey of 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is GPQUAHYIAVFDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13(2)19-22-17-5-8-24(11-16(17)20(25)23-19)10-14-4-3-7-21-18(14)15-6-9-26-12-15/h3-4,6-7,9,12-13H,5,8,10-11H2,1-2H3,(H,22,23,25).

What are the key properties of 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 366.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-6-[(2-thiophen-3-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).