1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

C₂₄H₂₈N₆O₂ — CID 91937976

About 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937976) has the molecular formula C₂₄H₂₈N₆O₂ and a molecular weight of 432.53 g/mol. Its IUPAC name is 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

• Compound Name: 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
• PubChem CID: 91937976
• Molecular Formula: C₂₄H₂₈N₆O₂
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
• SMILES: CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4nc(N)ccc4c3)CC1)C2
• InChI: InChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)20(17)28-30)8-10-29(11-9-24)22(32)16-4-6-18-15(12-16)5-7-19(25)26-18/h4-7,12,14H,8-11,13H2,1-3H3,(H2,25,26)(H,27,31)
• InChIKey: UHEKJWVIASAUTD-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 106.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?

The IUPAC name of 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937976) is 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

What is the SMILES notation for 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?

The canonical SMILES for 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4nc(N)ccc4c3)CC1)C2.

What is the InChIKey of 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?

The InChIKey is UHEKJWVIASAUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-23(2,3)30-14-17-13-24(27-21(31)20(17)28-30)8-10-29(11-9-24)22(32)16-4-6-18-15(12-16)5-7-19(25)26-18/h4-7,12,14H,8-11,13H2,1-3H3,(H2,25,26)(H,27,31).

What are the key properties of 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?

1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 432.53 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(2-aminoquinoline-6-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91937976 — identifiers, structure, computed properties (public domain)

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