2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H30N4O2S — CID 136796766

About 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796766) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136796766
• Molecular Formula: C23H30N4O2S
• Molecular Weight: 426.59 g/mol
• Exact Mass: 426.21
• IUPAC Name: 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc(C(=O)N2CCc3nc(C4CCCN4C4CCCCC4)[nH]c(=O)c3C2)s1
• InChI: InChI=1S/C23H30N4O2S/c1-15-9-10-20(30-15)23(29)26-13-11-18-17(14-26)22(28)25-21(24-18)19-8-5-12-27(19)16-6-3-2-4-7-16/h9-10,16,19H,2-8,11-14H2,1H3,(H,24,25,28)
• InChIKey: LBGHUHADMHABPQ-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.59
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796766) is 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(C(=O)N2CCc3nc(C4CCCN4C4CCCCC4)[nH]c(=O)c3C2)s1.

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

The InChIKey is LBGHUHADMHABPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-15-9-10-20(30-15)23(29)26-13-11-18-17(14-26)22(28)25-21(24-18)19-8-5-12-27(19)16-6-3-2-4-7-16/h9-10,16,19H,2-8,11-14H2,1H3,(H,24,25,28).

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

2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 426.59 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-cyclohexylpyrrolidin-2-yl)-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).