6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H25N5OS — CID 135946537

About 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946537) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135946537
• Molecular Formula: C22H25N5OS
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.18
• IUPAC Name: 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=c1[nH]c(-c2cccs2)nc2c1CN(Cc1cccnc1N1CCCCC1)CC2
• InChI: InChI=1S/C22H25N5OS/c28-22-17-15-26(12-8-18(17)24-20(25-22)19-7-5-13-29-19)14-16-6-4-9-23-21(16)27-10-2-1-3-11-27/h4-7,9,13H,1-3,8,10-12,14-15H2,(H,24,25,28)
• InChIKey: LYBIHJJRUUZXDU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946537) is 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cccs2)nc2c1CN(Cc1cccnc1N1CCCCC1)CC2.

What is the InChIKey of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is LYBIHJJRUUZXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c28-22-17-15-26(12-8-18(17)24-20(25-22)19-7-5-13-29-19)14-16-6-4-9-23-21(16)27-10-2-1-3-11-27/h4-7,9,13H,1-3,8,10-12,14-15H2,(H,24,25,28).

What are the key properties of 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 407.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-piperidin-1-yl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).