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

C22H20F4N6O — CID 163382992

IUPAC4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C22H20F4N6O/c1-11(2)32(10-13-5-4-12(8-28-13)22(24,25)26)21(33)14-6-15-18(7-17(14)23)30-20(27)16-9-29-31(3)19(15)16/h4-9,11H,10H2,1-3H3,(H2,27,30)
InChIKeyUINKTQHYNJAHCL-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.31
Rot. Bonds4

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

4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163382992) has the molecular formula C22H20F4N6O and a molecular weight of 460.44 g/mol. Its IUPAC name is 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163382992
Molecular FormulaC22H20F4N6O
Molecular Weight460.44 g/mol
Exact Mass460.16
IUPAC Name4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12
InChIInChI=1S/C22H20F4N6O/c1-11(2)32(10-13-5-4-12(8-28-13)22(24,25)26)21(33)14-6-15-18(7-17(14)23)30-20(27)16-9-29-31(3)19(15)16/h4-9,11H,10H2,1-3H3,(H2,27,30)
InChIKeyUINKTQHYNJAHCL-UHFFFAOYSA-N
XLogP4.31
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-7-fluoro-1-methyl-N-(1,2,2-trifluoroethyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 175487814
4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382853
4-amino-7-fluoro-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 169102330
4-amino-7-fluoro-N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382757
4-amino-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383591
4-amino-N-cyclopropyl-1-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 163382618
4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 174220847
4-amino-N-[(5-cyclopropyl-2-pyridinyl)methyl]-N-ethyl-7-fluoro-1-methylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 163383207
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-1-methyl-N-(1-methylpyrazol-4-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
CID 163383657
4-amino-N-cyclopropyl-7-fluoro-1-methyl-N-[[5-(2-thiophen-3-ylethynyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 172555289
4-amino-1-methyl-N-thiomorpholin-4-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 174376750

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163382992) is 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is CC(C)N(Cc1ccc(C(F)(F)F)cn1)C(=O)c1cc2c(cc1F)nc(N)c1cnn(C)c12.
What is the InChIKey of 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is UINKTQHYNJAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O/c1-11(2)32(10-13-5-4-12(8-28-13)22(24,25)26)21(33)14-6-15-18(7-17(14)23)30-20(27)16-9-29-31(3)19(15)16/h4-9,11H,10H2,1-3H3,(H2,27,30).
What are the key properties of 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-1-methyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).