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

C24H27N5O2S — CID 136796028

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

6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796028) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136796028
• Molecular Formula: C24H27N5O2S
• Molecular Weight: 449.58 g/mol
• Exact Mass: 449.19
• IUPAC Name: 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[nH]c(=O)c3C2)cs1
• InChI: InChI=1S/C24H27N5O2S/c1-16-12-17(15-32-16)13-28-9-6-21-20(14-28)23(30)27-22(26-21)18-4-10-29(11-5-18)24(31)19-2-7-25-8-3-19/h2-3,7-8,12,15,18H,4-6,9-11,13-14H2,1H3,(H,26,27,30)
• InChIKey: CZCBNSLHWAWBTC-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.58
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796028) is 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc(CN2CCc3nc(C4CCN(C(=O)c5ccncc5)CC4)[nH]c(=O)c3C2)cs1.

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

The InChIKey is CZCBNSLHWAWBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-16-12-17(15-32-16)13-28-9-6-21-20(14-28)23(30)27-22(26-21)18-4-10-29(11-5-18)24(31)19-2-7-25-8-3-19/h2-3,7-8,12,15,18H,4-6,9-11,13-14H2,1H3,(H,26,27,30).

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

6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 449.58 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5-methylthiophen-3-yl)methyl]-2-[1-(pyridine-4-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).