1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

C24H27N5O2 — CID 70674463

IUPAC1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2
InChIInChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27)
InChIKeyKKVZVNLGEFFDIU-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.65
Rot. Bonds2

About 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 70674463) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID70674463
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2
InChIInChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27)
InChIKeyKKVZVNLGEFFDIU-UHFFFAOYSA-N
XLogP3.65
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 70674463) is 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4ccc(N)nc4c3)CC1)C2.
What is the InChIKey of 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is KKVZVNLGEFFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15(2)29-22-18(14-26-29)12-24(13-20(22)30)7-9-28(10-8-24)23(31)17-4-3-16-5-6-21(25)27-19(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H2,25,27).
What are the key properties of 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 417.51 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-aminoquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 70674463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).