5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide

C23H27N7O3 — CID 91937974

IUPAC5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)CC1)C2
InChIInChI=1S/C23H27N7O3/c1-22(2,3)30-12-14-11-23(25-20(32)17(14)28-30)6-8-29(9-7-23)21(33)13-4-5-16-15(10-13)18(19(24)31)27-26-16/h4-5,10,12H,6-9,11H2,1-3H3,(H2,24,31)(H,25,32)(H,26,27)
InChIKeyXCUNPJLSDALSAP-UHFFFAOYSA-N
MW449.52 g/mol
LogP1.57
Rot. Bonds2

About 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide

5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide (PubChem CID 91937974) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
PubChem CID91937974
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)CC1)C2
InChIInChI=1S/C23H27N7O3/c1-22(2,3)30-12-14-11-23(25-20(32)17(14)28-30)6-8-29(9-7-23)21(33)13-4-5-16-15(10-13)18(19(24)31)27-26-16/h4-5,10,12H,6-9,11H2,1-3H3,(H2,24,31)(H,25,32)(H,26,27)
InChIKeyXCUNPJLSDALSAP-UHFFFAOYSA-N
XLogP1.57
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide (CID 91937974) is 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide is CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(C(N)=O)c4c3)CC1)C2.
What is the InChIKey of 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
The InChIKey is XCUNPJLSDALSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-22(2,3)30-12-14-11-23(25-20(32)17(14)28-30)6-8-29(9-7-23)21(33)13-4-5-16-15(10-13)18(19(24)31)27-26-16/h4-5,10,12H,6-9,11H2,1-3H3,(H2,24,31)(H,25,32)(H,26,27).
What are the key properties of 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide?
5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-7-oxospiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-1'-carbonyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 91937974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).