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

C25H28N4O2 — CID 70933248

IUPAC1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCc1ccc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2n1
InChIInChI=1S/C25H28N4O2/c1-16(2)29-23-20(15-26-29)13-25(14-22(23)30)8-10-28(11-9-25)24(31)19-7-6-18-5-4-17(3)27-21(18)12-19/h4-7,12,15-16H,8-11,13-14H2,1-3H3
InChIKeyCUJYAYVDFDGKSE-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.37
Rot. Bonds2

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

1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 70933248) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID70933248
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCc1ccc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2n1
InChIInChI=1S/C25H28N4O2/c1-16(2)29-23-20(15-26-29)13-25(14-22(23)30)8-10-28(11-9-25)24(31)19-7-6-18-5-4-17(3)27-21(18)12-19/h4-7,12,15-16H,8-11,13-14H2,1-3H3
InChIKeyCUJYAYVDFDGKSE-UHFFFAOYSA-N
XLogP4.37
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 70933248) is 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is Cc1ccc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3c(cnn3C(C)C)C4)cc2n1.
What is the InChIKey of 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is CUJYAYVDFDGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16(2)29-23-20(15-26-29)13-25(14-22(23)30)8-10-28(11-9-25)24(31)19-7-6-18-5-4-17(3)27-21(18)12-19/h4-7,12,15-16H,8-11,13-14H2,1-3H3.
What are the key properties of 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 416.53 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylquinoline-7-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 70933248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).