[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C25H35N7O — CID 163219466

About [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 163219466) has the molecular formula C25H35N7O and a molecular weight of 449.60 g/mol. Its IUPAC name is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

• Compound Name: [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
• PubChem CID: 163219466
• Molecular Formula: C25H35N7O
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.29
• IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
• SMILES: C[C@@H]1Cc2cnc(NC3CCNCC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C25H35N7O/c1-18-14-20-15-27-24(28-21-8-10-26-11-9-21)29-22(20)16-32(18)25(33)31-13-12-30(2)17-23(31)19-6-4-3-5-7-19/h3-7,15,18,21,23,26H,8-14,16-17H2,1-2H3,(H,27,28,29)/t18-,23-/m1/s1
• InChIKey: NVDUIBVHYWIPSE-WZONZLPQSA-N
• XLogP: 2.50
• TPSA: 76.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The IUPAC name of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 163219466) is [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

What is the SMILES notation for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The canonical SMILES for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is C[C@@H]1Cc2cnc(NC3CCNCC3)nc2CN1C(=O)N1CCN(C)C[C@@H]1c1ccccc1.

What is the InChIKey of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

The InChIKey is NVDUIBVHYWIPSE-WZONZLPQSA-N. The full InChI is InChI=1S/C25H35N7O/c1-18-14-20-15-27-24(28-21-8-10-26-11-9-21)29-22(20)16-32(18)25(33)31-13-12-30(2)17-23(31)19-6-4-3-5-7-19/h3-7,15,18,21,23,26H,8-14,16-17H2,1-2H3,(H,27,28,29)/t18-,23-/m1/s1.

What are the key properties of [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?

[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 449.60 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(6R)-6-methyl-2-(piperidin-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 163219466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).