4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide

C21H18F4N6O2 — CID 163383431

IUPAC4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOc1nc(C(F)(F)F)ccc1CN(C)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C21H18F4N6O2/c1-30(9-10-4-5-16(21(23,24)25)29-19(10)33-3)20(32)11-6-12-15(7-14(11)22)28-18(26)13-8-27-31(2)17(12)13/h4-8H,9H2,1-3H3,(H2,26,28)
InChIKeyHWSFYOWZLWYBNA-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.54
Rot. Bonds4

About 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163383431) has the molecular formula C21H18F4N6O2 and a molecular weight of 462.41 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163383431
Molecular FormulaC21H18F4N6O2
Molecular Weight462.41 g/mol
Exact Mass462.14
IUPAC Name4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCOc1nc(C(F)(F)F)ccc1CN(C)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C21H18F4N6O2/c1-30(9-10-4-5-16(21(23,24)25)29-19(10)33-3)20(32)11-6-12-15(7-14(11)22)28-18(26)13-8-27-31(2)17(12)13/h4-8H,9H2,1-3H3,(H2,26,28)
InChIKeyHWSFYOWZLWYBNA-UHFFFAOYSA-N
XLogP3.54
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide (CID 163383431) is 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide is COc1nc(C(F)(F)F)ccc1CN(C)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12.
What is the InChIKey of 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is HWSFYOWZLWYBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O2/c1-30(9-10-4-5-16(21(23,24)25)29-19(10)33-3)20(32)11-6-12-15(7-14(11)22)28-18(26)13-8-27-31(2)17(12)13/h4-8H,9H2,1-3H3,(H2,26,28).
What are the key properties of 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 462.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methyl]-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).