4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide

C24H22F4N8O2 — CID 171823533

IUPAC4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESC=CCCC(=O)N(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C24H22F4N8O2/c1-4-5-6-20(37)35(3)36(12-13-7-8-19(33-32-13)24(26,27)28)23(38)14-9-15-18(10-17(14)25)31-22(29)16-11-30-34(2)21(15)16/h4,7-11H,1,5-6,12H2,2-3H3,(H2,29,31)
InChIKeyUQHJWKFOJLAMQS-UHFFFAOYSA-N
MW530.49 g/mol
LogP3.63
Rot. Bonds6

About 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide

4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (PubChem CID 171823533) has the molecular formula C24H22F4N8O2 and a molecular weight of 530.49 g/mol. Its IUPAC name is 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.

Molecular Properties

Compound Name4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
PubChem CID171823533
Molecular FormulaC24H22F4N8O2
Molecular Weight530.49 g/mol
Exact Mass530.18
IUPAC Name4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide
SMILESC=CCCC(=O)N(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C24H22F4N8O2/c1-4-5-6-20(37)35(3)36(12-13-7-8-19(33-32-13)24(26,27)28)23(38)14-9-15-18(10-17(14)25)31-22(29)16-11-30-34(2)21(15)16/h4,7-11H,1,5-6,12H2,2-3H3,(H2,29,31)
InChIKeyUQHJWKFOJLAMQS-UHFFFAOYSA-N
XLogP3.63
TPSA123.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The IUPAC name of 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide (CID 171823533) is 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide.
What is the SMILES notation for 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The canonical SMILES for 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is C=CCCC(=O)N(C)N(Cc1ccc(C(F)(F)F)nn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12.
What is the InChIKey of 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
The InChIKey is UQHJWKFOJLAMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N8O2/c1-4-5-6-20(37)35(3)36(12-13-7-8-19(33-32-13)24(26,27)28)23(38)14-9-15-18(10-17(14)25)31-22(29)16-11-30-34(2)21(15)16/h4,7-11H,1,5-6,12H2,2-3H3,(H2,29,31).
What are the key properties of 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide?
4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide has a molecular weight of 530.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N',1-dimethyl-N'-pent-4-enoyl-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]pyrazolo[4,5-c]quinoline-8-carbohydrazide is sourced from PubChem (CID 171823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).