4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H20F4N6O — CID 163383499

IUPAC4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3cc(F)c(C(=O)N(Cc4ccc(C(F)(F)F)cn4)C4CCC4)cc3c21
InChIInChI=1S/C23H20F4N6O/c1-32-20-16-7-15(18(24)8-19(16)31-21(28)17(20)10-30-32)22(34)33(14-3-2-4-14)11-13-6-5-12(9-29-13)23(25,26)27/h5-10,14H,2-4,11H2,1H3,(H2,28,31)
InChIKeyRZKHGQXOBGRHRI-UHFFFAOYSA-N
MW472.45 g/mol
LogP4.45
Rot. Bonds4

About 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163383499) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163383499
Molecular FormulaC23H20F4N6O
Molecular Weight472.45 g/mol
Exact Mass472.16
IUPAC Name4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCn1ncc2c(N)nc3cc(F)c(C(=O)N(Cc4ccc(C(F)(F)F)cn4)C4CCC4)cc3c21
InChIInChI=1S/C23H20F4N6O/c1-32-20-16-7-15(18(24)8-19(16)31-21(28)17(20)10-30-32)22(34)33(14-3-2-4-14)11-13-6-5-12(9-29-13)23(25,26)27/h5-10,14H,2-4,11H2,1H3,(H2,28,31)
InChIKeyRZKHGQXOBGRHRI-UHFFFAOYSA-N
XLogP4.45
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide with MolForge

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Related Compounds

2-Fluoro-4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137634498
2-Fluoro-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137639212
2-fluoro-N-methyl-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137644947
4-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-2-fluoro-N-methylbenzamide
CID 137650862
2-fluoro-4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
CID 137652748
4-[3-[1-[5,7-Difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-2-fluorobenzamide
CID 137657796
9-Amino-2-cyclobutyl-5-pyrimidin-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 25133381
[8-(4-Methylpiperazin-1-yl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 44404249
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
N-(1-ethyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-4-pyridinecarboxamide
CID 665280
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 1397035
N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]pyridine-2-carboxamide
CID 1400841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163383499) is 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cn1ncc2c(N)nc3cc(F)c(C(=O)N(Cc4ccc(C(F)(F)F)cn4)C4CCC4)cc3c21.
What is the InChIKey of 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is RZKHGQXOBGRHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c1-32-20-16-7-15(18(24)8-19(16)31-21(28)17(20)10-30-32)22(34)33(14-3-2-4-14)11-13-6-5-12(9-29-13)23(25,26)27/h5-10,14H,2-4,11H2,1H3,(H2,28,31).
What are the key properties of 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclobutyl-7-fluoro-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).