N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide

C24H24N8O2 — CID 171823292

IUPACN'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCC(=O)N(C)N(Cc1ccc2c(cnn2C)c1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C24H24N8O2/c1-14(33)31(4)32(13-15-5-8-21-17(9-15)11-26-29(21)2)24(34)16-6-7-20-18(10-16)22-19(23(25)28-20)12-27-30(22)3/h5-12H,13H2,1-4H3,(H2,25,28)
InChIKeyCOPZEVJADDETPZ-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.63
Rot. Bonds3

About N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide

N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823292) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
PubChem CID171823292
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCC(=O)N(C)N(Cc1ccc2c(cnn2C)c1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C24H24N8O2/c1-14(33)31(4)32(13-15-5-8-21-17(9-15)11-26-29(21)2)24(34)16-6-7-20-18(10-16)22-19(23(25)28-20)12-27-30(22)3/h5-12H,13H2,1-4H3,(H2,25,28)
InChIKeyCOPZEVJADDETPZ-UHFFFAOYSA-N
XLogP2.63
TPSA115.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-acetyl-4-amino-N',1-dimethyl-N-[[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823316
N'-acetyl-4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823032
N'-acetyl-4-amino-N-[[2-fluoro-4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 174380830
N'-acetyl-4-amino-N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823387
N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823036
N'-acetyl-4-amino-N-[[2-fluoro-4-(1,3-thiazol-5-yl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822807
N'-acetyl-4-amino-N-[[2-fluoro-4-(1,2-oxazol-4-yl)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823217
N'-acetyl-4-amino-N-[[2-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823285
N'-acetyl-4-amino-N-[[2-fluoro-4-[1-(trifluoromethyl)imidazol-4-yl]phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823472
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387
4-amino-N-[(4-chloro-3-methoxyphenyl)methyl]-N-methoxy-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 171485997
4-amino-N',1-dimethyl-N'-(pyrimidine-2-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822952

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The IUPAC name of N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823292) is N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The canonical SMILES for N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is CC(=O)N(C)N(Cc1ccc2c(cnn2C)c1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.
What is the InChIKey of N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The InChIKey is COPZEVJADDETPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-14(33)31(4)32(13-15-5-8-21-17(9-15)11-26-29(21)2)24(34)16-6-7-20-18(10-16)22-19(23(25)28-20)12-27-30(22)3/h5-12H,13H2,1-4H3,(H2,25,28).
What are the key properties of N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 456.51 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-4-amino-N',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).