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

C20H28N6O — CID 92562741

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

1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 92562741) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• PubChem CID: 92562741
• Molecular Formula: C20H28N6O
• Molecular Weight: 368.49 g/mol
• Exact Mass: 368.23
• IUPAC Name: 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
• SMILES: Cc1ccnn1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1
• InChI: InChI=1S/C20H28N6O/c1-15-5-8-22-26(15)11-7-19(27)25-9-3-4-16(14-25)20-21-12-17-13-24(2)10-6-18(17)23-20/h5,8,12,16H,3-4,6-7,9-11,13-14H2,1-2H3/t16-/m1/s1
• InChIKey: QRQQXSGPASKJGZ-MRXNPFEDSA-N
• XLogP: 1.77
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.49
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one (CID 92562741) is 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one.

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

The canonical SMILES for 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is Cc1ccnn1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1.

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

The InChIKey is QRQQXSGPASKJGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-5-8-22-26(15)11-7-19(27)25-9-3-4-16(14-25)20-21-12-17-13-24(2)10-6-18(17)23-20/h5,8,12,16H,3-4,6-7,9-11,13-14H2,1-2H3/t16-/m1/s1.

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

1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 368.49 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 92562741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).