1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

C22H26N6O2 — CID 123462578

IUPAC1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(N)c4c3)CC1)C2
InChIInChI=1S/C22H26N6O2/c1-13(2)28-19-15(12-24-28)10-22(11-18(19)29)5-7-27(8-6-22)21(30)14-3-4-17-16(9-14)20(23)26-25-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H3,23,25,26)
InChIKeyGULKFNNPDRNTMV-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.97
Rot. Bonds2

About 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one

1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (PubChem CID 123462578) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
PubChem CID123462578
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
SMILESCC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]nc(N)c4c3)CC1)C2
InChIInChI=1S/C22H26N6O2/c1-13(2)28-19-15(12-24-28)10-22(11-18(19)29)5-7-27(8-6-22)21(30)14-3-4-17-16(9-14)20(23)26-25-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H3,23,25,26)
InChIKeyGULKFNNPDRNTMV-UHFFFAOYSA-N
XLogP2.97
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one (CID 123462578) is 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(3-amino-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)c3ccc4[nH]nc(N)c4c3)CC1)C2.
What is the InChIKey of 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
The InChIKey is GULKFNNPDRNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13(2)28-19-15(12-24-28)10-22(11-18(19)29)5-7-27(8-6-22)21(30)14-3-4-17-16(9-14)20(23)26-25-17/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H3,23,25,26).
What are the key properties of 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one?
1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one has a molecular weight of 406.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-amino-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 123462578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).