1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane

C25H32N6O2 — CID 145090935

About 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane

1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane (PubChem CID 145090935) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane.

Molecular Properties

• Compound Name: 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane
• PubChem CID: 145090935
• Molecular Formula: C25H32N6O2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.26
• IUPAC Name: 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane
• SMILES: C1CCOC1.CC(=O)N1CCc2[nH]nc(N3CCCc4cc(-c5cc(C)[nH]n5)ccc43)c2C1
• InChI: InChI=1S/C21H24N6O.C4H8O/c1-13-10-19(24-22-13)15-5-6-20-16(11-15)4-3-8-27(20)21-17-12-26(14(2)28)9-7-18(17)23-25-21;1-2-4-5-3-1/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H,22,24)(H,23,25);1-4H2
• InChIKey: WQYYJFGGXWPUOR-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 90.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane?

The IUPAC name of 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane (CID 145090935) is 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane.

What is the SMILES notation for 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane?

The canonical SMILES for 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane is C1CCOC1.CC(=O)N1CCc2[nH]nc(N3CCCc4cc(-c5cc(C)[nH]n5)ccc43)c2C1.

What is the InChIKey of 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane?

The InChIKey is WQYYJFGGXWPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C4H8O/c1-13-10-19(24-22-13)15-5-6-20-16(11-15)4-3-8-27(20)21-17-12-26(14(2)28)9-7-18(17)23-25-21;1-2-4-5-3-1/h5-6,10-11H,3-4,7-9,12H2,1-2H3,(H,22,24)(H,23,25);1-4H2.

What are the key properties of 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane?

1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane has a molecular weight of 448.57 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[6-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;oxolane is sourced from PubChem (CID 145090935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).