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

C22H28N6O2 — CID 91937944

IUPAC1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12
InChIInChI=1S/C22H28N6O2/c1-13(2)28-19-16(12-23-28)11-22(24-20(19)29)6-8-27(9-7-22)21(30)15-4-5-18-17(10-15)14(3)25-26-18/h4-5,10,12-13,17-18,26H,6-9,11H2,1-3H3,(H,24,29)
InChIKeyLIBAQNPXMCTUEP-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.57
Rot. Bonds2

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

1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91937944) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91937944
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12
InChIInChI=1S/C22H28N6O2/c1-13(2)28-19-16(12-23-28)11-22(24-20(19)29)6-8-27(9-7-22)21(30)15-4-5-18-17(10-15)14(3)25-26-18/h4-5,10,12-13,17-18,26H,6-9,11H2,1-3H3,(H,24,29)
InChIKeyLIBAQNPXMCTUEP-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

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one (CID 91937944) is 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is CC1=NNC2C=CC(C(=O)N3CCC4(CC3)Cc3cnn(C(C)C)c3C(=O)N4)=CC12.
What is the InChIKey of 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is LIBAQNPXMCTUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13(2)28-19-16(12-23-28)11-22(24-20(19)29)6-8-27(9-7-22)21(30)15-4-5-18-17(10-15)14(3)25-26-18/h4-5,10,12-13,17-18,26H,6-9,11H2,1-3H3,(H,24,29).
What are the key properties of 1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-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'-(3-methyl-3a,7a-dihydro-1H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91937944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).