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

C22H24FN5O2 — CID 52933952

IUPAC1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(F)c4[nH]ncc4c3)CC1)C2
InChIInChI=1S/C22H24FN5O2/c1-13(2)28-20-16(12-25-28)9-22(10-18(20)29)3-5-27(6-4-22)21(30)14-7-15-11-24-26-19(15)17(23)8-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,26)
InChIKeyJKVNNEYUPXYSDF-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.53
Rot. Bonds2

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

1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 52933952) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID52933952
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(F)c4[nH]ncc4c3)CC1)C2
InChIInChI=1S/C22H24FN5O2/c1-13(2)28-20-16(12-25-28)9-22(10-18(20)29)3-5-27(6-4-22)21(30)14-7-15-11-24-26-19(15)17(23)8-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,26)
InChIKeyJKVNNEYUPXYSDF-UHFFFAOYSA-N
XLogP3.53
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(7-fluoro-1H-indazole-5-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'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 52933952) is 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3cc(F)c4[nH]ncc4c3)CC1)C2.
What is the InChIKey of 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is JKVNNEYUPXYSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13(2)28-20-16(12-25-28)9-22(10-18(20)29)3-5-27(6-4-22)21(30)14-7-15-11-24-26-19(15)17(23)8-14/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,26).
What are the key properties of 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 409.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-fluoro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 52933952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).