N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

C25H23FN8O2 — CID 171823036

IUPACN'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCC(=O)N(C)N(Cc1ccn(-c2ccccc2F)n1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C25H23FN8O2/c1-15(35)32(3)34(14-17-10-11-33(30-17)22-7-5-4-6-20(22)26)25(36)16-8-9-21-18(12-16)23-19(24(27)29-21)13-28-31(23)2/h4-13H,14H2,1-3H3,(H2,27,29)
InChIKeyHWRIEWKDJRNMOL-UHFFFAOYSA-N
MW486.51 g/mol
LogP3.06
Rot. Bonds4

About N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide

N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823036) has the molecular formula C25H23FN8O2 and a molecular weight of 486.51 g/mol. Its IUPAC name is N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
PubChem CID171823036
Molecular FormulaC25H23FN8O2
Molecular Weight486.51 g/mol
Exact Mass486.19
IUPAC NameN'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESCC(=O)N(C)N(Cc1ccn(-c2ccccc2F)n1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI=1S/C25H23FN8O2/c1-15(35)32(3)34(14-17-10-11-33(30-17)22-7-5-4-6-20(22)26)25(36)16-8-9-21-18(12-16)23-19(24(27)29-21)13-28-31(23)2/h4-13H,14H2,1-3H3,(H2,27,29)
InChIKeyHWRIEWKDJRNMOL-UHFFFAOYSA-N
XLogP3.06
TPSA115.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.51
LogP ≤ 53.06
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-7-fluoro-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823211
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',1-dimethyl-N-[(1-methylindazol-5-yl)methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823292
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
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-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-(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-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-diazenyl-3-(methylamino)phenyl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171823285
4-amino-N',1-dimethyl-N'-(pyrimidine-2-carbonyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
CID 171822952
4-amino-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383387

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The IUPAC name of N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823036) is N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide.
What is the SMILES notation for N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The canonical SMILES for N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is CC(=O)N(C)N(Cc1ccn(-c2ccccc2F)n1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1.
What is the InChIKey of N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
The InChIKey is HWRIEWKDJRNMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O2/c1-15(35)32(3)34(14-17-10-11-33(30-17)22-7-5-4-6-20(22)26)25(36)16-8-9-21-18(12-16)23-19(24(27)29-21)13-28-31(23)2/h4-13H,14H2,1-3H3,(H2,27,29).
What are the key properties of N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide?
N'-acetyl-4-amino-N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 486.51 g/mol, XLogP of 3.06, 4 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-(2-fluorophenyl)pyrazol-3-yl]methyl]-N',1-dimethylpyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).