1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

C26H35N5O — CID 92636273

About 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 92636273) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• PubChem CID: 92636273
• Molecular Formula: C26H35N5O
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.28
• IUPAC Name: 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC[C@@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CCN(C)C2
• InChI: InChI=1S/C26H35N5O/c1-19(32)31-15-8-11-23(31)25-28-22-17-30(2)16-12-21(22)24(29-25)27-18-26(13-6-7-14-26)20-9-4-3-5-10-20/h3-5,9-10,23H,6-8,11-18H2,1-2H3,(H,27,28,29)/t23-/m1/s1
• InChIKey: HCMLCGJOYGLLAO-HSZRJFAPSA-N
• XLogP: 4.07
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone (CID 92636273) is 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1nc2c(c(NCC3(c4ccccc4)CCCC3)n1)CCN(C)C2.

What is the InChIKey of 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?

The InChIKey is HCMLCGJOYGLLAO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H35N5O/c1-19(32)31-15-8-11-23(31)25-28-22-17-30(2)16-12-21(22)24(29-25)27-18-26(13-6-7-14-26)20-9-4-3-5-10-20/h3-5,9-10,23H,6-8,11-18H2,1-2H3,(H,27,28,29)/t23-/m1/s1.

What are the key properties of 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone?

1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 433.60 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[7-methyl-4-[(1-phenylcyclopentyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 92636273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).