dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate

C21H21N5O5 — CID 155979760

IUPACdimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(N=N1)C(=O)c1c(C)nn(-c3ccccn3)c1CC2(C)C
InChIInChI=1S/C21H21N5O5/c1-11-14-12(26(24-11)13-8-6-7-9-22-13)10-20(2,3)21(17(14)27)15(18(28)30-4)16(23-25-21)19(29)31-5/h6-9H,10H2,1-5H3
InChIKeyLBXGGLNKQQSVET-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.15
Rot. Bonds3

About dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate

dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate (PubChem CID 155979760) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate
PubChem CID155979760
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC Namedimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(N=N1)C(=O)c1c(C)nn(-c3ccccn3)c1CC2(C)C
InChIInChI=1S/C21H21N5O5/c1-11-14-12(26(24-11)13-8-6-7-9-22-13)10-20(2,3)21(17(14)27)15(18(28)30-4)16(23-25-21)19(29)31-5/h6-9H,10H2,1-5H3
InChIKeyLBXGGLNKQQSVET-UHFFFAOYSA-N
XLogP2.15
TPSA125.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate with MolForge

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Related Compounds

3',6',6'-trimethyl-3-phenyl-1'-pyridin-2-ylspiro[3-azabicyclo[3.1.0]hexane-6,5'-7H-indazole]-2,4,4'-trione
CID 155979757
3,6-dimethyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 22732861
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
8-bromo-3,7,7-trimethyl-1-pyridin-2-yl-6,8-dihydro-5H-pyrazolo[4,5-c]azepin-4-one
CID 162668581
2-chloro-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 155979881
3-methoxy-N-(3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydro-4H-indazol-4-yl)benzamide
CID 155979875
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 141206427
(5Z)-3-methyl-5-[(4-nitroanilino)methylidene]-1-pyridin-2-yl-6,7-dihydroindazol-4-one
CID 5293385
4-ethoxy-3-methyl-1-pyridin-2-yl-6,7-dihydroindazole-5-carbonitrile
CID 15358374
copper bis(2-(4-dimethoxyphosphoryl-3-methyl-1-pyridin-2-ylpyrazol-5-yl)phenolate)
CID 71722124

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate?
The IUPAC name of dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate (CID 155979760) is dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate.
What is the SMILES notation for dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate?
The canonical SMILES for dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate is COC(=O)C1=C(C(=O)OC)C2(N=N1)C(=O)c1c(C)nn(-c3ccccn3)c1CC2(C)C.
What is the InChIKey of dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate?
The InChIKey is LBXGGLNKQQSVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-11-14-12(26(24-11)13-8-6-7-9-22-13)10-20(2,3)21(17(14)27)15(18(28)30-4)16(23-25-21)19(29)31-5/h6-9H,10H2,1-5H3.
What are the key properties of dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate?
dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate has a molecular weight of 423.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6,6-trimethyl-4-oxo-1-pyridin-2-ylspiro[7H-indazole-5,5'-pyrazole]-3',4'-dicarboxylate is sourced from PubChem (CID 155979760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).