1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

C23H25N5O2 — CID 56967823

IUPAC1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3ccc4ncccc4c3)CC1)C2
InChIInChI=1S/C23H25N5O2/c1-15(2)28-20-18(14-25-28)13-23(26-21(20)29)7-10-27(11-8-23)22(30)17-5-6-19-16(12-17)4-3-9-24-19/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,26,29)
InChIKeyGLVBZSAHNCOHRU-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.97
Rot. Bonds2

About 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one

1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 56967823) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID56967823
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3ccc4ncccc4c3)CC1)C2
InChIInChI=1S/C23H25N5O2/c1-15(2)28-20-18(14-25-28)13-23(26-21(20)29)7-10-27(11-8-23)22(30)17-5-6-19-16(12-17)4-3-9-24-19/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,26,29)
InChIKeyGLVBZSAHNCOHRU-UHFFFAOYSA-N
XLogP2.97
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 56967823) is 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)c3ccc4ncccc4c3)CC1)C2.
What is the InChIKey of 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is GLVBZSAHNCOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-15(2)28-20-18(14-25-28)13-23(26-21(20)29)7-10-27(11-8-23)22(30)17-5-6-19-16(12-17)4-3-9-24-19/h3-6,9,12,14-15H,7-8,10-11,13H2,1-2H3,(H,26,29).
What are the key properties of 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 403.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1'-(quinoline-6-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 56967823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).