8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H32N6O — CID 127249369

About 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 127249369) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 127249369
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1nc(C2CCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1
• InChI: InChI=1S/C23H32N6O/c1-16-19-7-8-21(30)29(13-17-5-3-2-4-6-17)23(19)27-22(26-16)18-9-12-28(14-18)15-20-24-10-11-25-20/h10-11,17-18H,2-9,12-15H2,1H3,(H,24,25)
• InChIKey: IWTAGELQLDVKKT-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 127249369) is 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(Cc3ncc[nH]3)C2)nc2c1CCC(=O)N2CC1CCCCC1.

What is the InChIKey of 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IWTAGELQLDVKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-16-19-7-8-21(30)29(13-17-5-3-2-4-6-17)23(19)27-22(26-16)18-9-12-28(14-18)15-20-24-10-11-25-20/h10-11,17-18H,2-9,12-15H2,1H3,(H,24,25).

What are the key properties of 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?

8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 408.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclohexylmethyl)-2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127249369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).