1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

C22H28N6O2 — CID 91937963

IUPAC1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)C)nc2C(=O)N3)=CC2C=NNC12
InChIInChI=1S/C22H28N6O2/c1-13(2)28-12-17-10-22(24-20(29)19(17)26-28)4-6-27(7-5-22)21(30)15-8-14(3)18-16(9-15)11-23-25-18/h8-9,11-13,16,18,25H,4-7,10H2,1-3H3,(H,24,29)
InChIKeySDFDHFXSFVWVCM-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.57
Rot. Bonds2

About 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937963) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937963
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)C)nc2C(=O)N3)=CC2C=NNC12
InChIInChI=1S/C22H28N6O2/c1-13(2)28-12-17-10-22(24-20(29)19(17)26-28)4-6-27(7-5-22)21(30)15-8-14(3)18-16(9-15)11-23-25-18/h8-9,11-13,16,18,25H,4-7,10H2,1-3H3,(H,24,29)
InChIKeySDFDHFXSFVWVCM-UHFFFAOYSA-N
XLogP1.57
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-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-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937963) is 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)C)nc2C(=O)N3)=CC2C=NNC12.
What is the InChIKey of 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is SDFDHFXSFVWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13(2)28-12-17-10-22(24-20(29)19(17)26-28)4-6-27(7-5-22)21(30)15-8-14(3)18-16(9-15)11-23-25-18/h8-9,11-13,16,18,25H,4-7,10H2,1-3H3,(H,24,29).
What are the key properties of 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 408.51 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(7-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).