(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C25H37N7O — CID 67954755

About (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67954755) has the molecular formula C25H37N7O and a molecular weight of 451.62 g/mol. Its IUPAC name is (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 67954755
• Molecular Formula: C25H37N7O
• Molecular Weight: 451.62 g/mol
• Exact Mass: 451.31
• IUPAC Name: (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCCCc1cn(CCN2CCC2)c(C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C25H37N7O/c1-3-4-6-20-16-32(14-13-30-9-5-10-30)24(28-20)19-7-11-31(12-8-19)25-22-18(2)15-21(33)29-23(22)26-17-27-25/h16-19H,3-15H2,1-2H3,(H,26,27,29,33)/t18-/m1/s1
• InChIKey: KGFJXLKKQZHXIY-GOSISDBHSA-N
• XLogP: 3.55
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.62
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 67954755) is (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCCCc1cn(CCN2CCC2)c(C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)n1.

What is the InChIKey of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is KGFJXLKKQZHXIY-GOSISDBHSA-N. The full InChI is InChI=1S/C25H37N7O/c1-3-4-6-20-16-32(14-13-30-9-5-10-30)24(28-20)19-7-11-31(12-8-19)25-22-18(2)15-21(33)29-23(22)26-17-27-25/h16-19H,3-15H2,1-2H3,(H,26,27,29,33)/t18-/m1/s1.

What are the key properties of (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

(5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 451.62 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[1-[2-(azetidin-1-yl)ethyl]-4-butylimidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67954755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).