4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C23H22F4N6O — CID 163382853

IUPAC4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12
InChIInChI=1S/C23H22F4N6O/c1-11(2)33(10-14-6-5-13(9-29-14)23(25,26)27)22(34)15-7-16-18(8-17(15)24)30-21(28)19-12(3)31-32(4)20(16)19/h5-9,11H,10H2,1-4H3,(H2,28,30)
InChIKeyNTKRSCSUCICKCB-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.62
Rot. Bonds4

About 4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 163382853) has the molecular formula C23H22F4N6O and a molecular weight of 474.46 g/mol. Its IUPAC name is 4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID163382853
Molecular FormulaC23H22F4N6O
Molecular Weight474.46 g/mol
Exact Mass474.18
IUPAC Name4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12
InChIInChI=1S/C23H22F4N6O/c1-11(2)33(10-14-6-5-13(9-29-14)23(25,26)27)22(34)15-7-16-18(8-17(15)24)30-21(28)19-12(3)31-32(4)20(16)19/h5-9,11H,10H2,1-4H3,(H2,28,30)
InChIKeyNTKRSCSUCICKCB-UHFFFAOYSA-N
XLogP4.62
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-1,3-dimethyl-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-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 163382853) is 4-amino-7-fluoro-1,3-dimethyl-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-1,3-dimethyl-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-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cc1nn(C)c2c1c(N)nc1cc(F)c(C(=O)N(Cc3ccc(C(F)(F)F)cn3)C(C)C)cc12.
What is the InChIKey of 4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is NTKRSCSUCICKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O/c1-11(2)33(10-14-6-5-13(9-29-14)23(25,26)27)22(34)15-7-16-18(8-17(15)24)30-21(28)19-12(3)31-32(4)20(16)19/h5-9,11H,10H2,1-4H3,(H2,28,30).
What are the key properties of 4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-7-fluoro-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 4.62, 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-1,3-dimethyl-N-propan-2-yl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 163382853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).