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

C24H35N7O — CID 52913954

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

(5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 52913954) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is (5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-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-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 52913954
• Molecular Formula: C24H35N7O
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.29
• IUPAC Name: (5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)n1
• InChI: InChI=1S/C24H35N7O/c1-3-19-15-31(13-12-29-8-4-5-9-29)23(27-19)18-6-10-30(11-7-18)24-21-17(2)14-20(32)28-22(21)25-16-26-24/h15-18H,3-14H2,1-2H3,(H,25,26,28,32)/t17-/m1/s1
• InChIKey: GCEGIRJJGSNKCZ-QGZVFWFLSA-N
• XLogP: 3.16
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-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-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 52913954) is (5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-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-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-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-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CCc1cn(CCN2CCCC2)c(C2CCN(c3ncnc4c3[C@H](C)CC(=O)N4)CC2)n1.

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

The InChIKey is GCEGIRJJGSNKCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H35N7O/c1-3-19-15-31(13-12-29-8-4-5-9-29)23(27-19)18-6-10-30(11-7-18)24-21-17(2)14-20(32)28-22(21)25-16-26-24/h15-18H,3-14H2,1-2H3,(H,25,26,28,32)/t17-/m1/s1.

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

(5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 437.59 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-4-[4-[4-ethyl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidin-1-yl]-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52913954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).