1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

C21H25N7O2 — CID 91938003

IUPAC1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4n[nH]nc4c3)CC1)C2
InChIInChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26)
InChIKeyOVFPJXHFAKXWMZ-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.87
Rot. Bonds1

About 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one

1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (PubChem CID 91938003) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
PubChem CID91938003
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
SMILESCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4n[nH]nc4c3)CC1)C2
InChIInChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26)
InChIKeyOVFPJXHFAKXWMZ-UHFFFAOYSA-N
XLogP1.87
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[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

Related Compounds

1-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 52933949
1-tert-butyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967694
2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967888
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-2-propan-2-ylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967890
2-tert-butyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968004
[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57389895
1'-(3,7-dimethyl-2H-indazole-5-carbonyl)-1-propan-2-ylspiro[4,6-dihydropyrazolo[5,4-c]pyridine-5,4'-piperidine]-7-one
CID 67491412
N-[1-(2-phenylpropan-2-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267246
(S)-N-(1-(1-phenylpropyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267305
2-cyclobutyl-1'-(3,7-dimethyl-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292366
2-tert-butyl-1'-[3-(trifluoromethyl)-2H-indazole-5-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292553
2-tert-butyl-1'-(3-chloro-2H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292554

Frequently Asked Questions

What is the IUPAC name of 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one (CID 91938003) is 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4n[nH]nc4c3)CC1)C2.
What is the InChIKey of 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
The InChIKey is OVFPJXHFAKXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-20(2,3)28-12-14-11-21(22-18(29)17(14)25-28)6-8-27(9-7-21)19(30)13-4-5-15-16(10-13)24-26-23-15/h4-5,10,12H,6-9,11H2,1-3H3,(H,22,29)(H,23,24,26).
What are the key properties of 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one?
1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one has a molecular weight of 407.48 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2H-benzotriazole-5-carbonyl)-2-tert-butylspiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 91938003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).