[(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

C29H35N5O2 — CID 163200246

About [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone

[(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (PubChem CID 163200246) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
• PubChem CID: 163200246
• Molecular Formula: C29H35N5O2
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.28
• IUPAC Name: [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone
• SMILES: C[C@@H]1Cc2cnc(N[C@@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1
• InChI: InChI=1S/C29H35N5O2/c1-20-15-23-16-30-29(32-27(19-35)22-11-7-4-8-12-22)31-26(23)18-34(20)28(36)24-13-14-33(2)17-25(24)21-9-5-3-6-10-21/h3-12,16,20,24-25,27,35H,13-15,17-19H2,1-2H3,(H,30,31,32)/t20-,24+,25-,27+/m1/s1
• InChIKey: FODIZQZDGQYPMD-TVZVLCPFSA-N
• XLogP: 3.63
• TPSA: 81.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone (CID 163200246) is [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone.

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

The canonical SMILES for [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone is C[C@@H]1Cc2cnc(N[C@@H](CO)c3ccccc3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1c1ccccc1.

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

The InChIKey is FODIZQZDGQYPMD-TVZVLCPFSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-20-15-23-16-30-29(32-27(19-35)22-11-7-4-8-12-22)31-26(23)18-34(20)28(36)24-13-14-33(2)17-25(24)21-9-5-3-6-10-21/h3-12,16,20,24-25,27,35H,13-15,17-19H2,1-2H3,(H,30,31,32)/t20-,24+,25-,27+/m1/s1.

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

[(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone has a molecular weight of 485.63 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]methanone is sourced from PubChem (CID 163200246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).