(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C19H26N6O — CID 110245887

About (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 110245887) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• PubChem CID: 110245887
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCc3nc(C4CCCNC4)ncc3C2)n[nH]1
• InChI: InChI=1S/C19H26N6O/c1-12(2)16-8-17(24-23-16)19(26)25-7-5-15-14(11-25)10-21-18(22-15)13-4-3-6-20-9-13/h8,10,12-13,20H,3-7,9,11H2,1-2H3,(H,23,24)
• InChIKey: JEKUDMRIUZSQJO-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 110245887) is (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

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

The canonical SMILES for (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCc3nc(C4CCCNC4)ncc3C2)n[nH]1.

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

The InChIKey is JEKUDMRIUZSQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-12(2)16-8-17(24-23-16)19(26)25-7-5-15-14(11-25)10-21-18(22-15)13-4-3-6-20-9-13/h8,10,12-13,20H,3-7,9,11H2,1-2H3,(H,23,24).

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

(2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 354.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).