4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

C23H20F3N5O2 — CID 164867004

IUPAC4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1)[C@@H]1COCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H20F3N5O2/c1-30(19-11-33-10-13-7-14(23(24,25)26)4-5-15(13)19)22(32)12-3-6-18-16(8-12)17-9-28-31(2)20(17)21(27)29-18/h3-9,19H,10-11H2,1-2H3,(H2,27,29)/t19-/m1/s1
InChIKeyYDJMFVXHERZIHW-LJQANCHMSA-N
MW455.44 g/mol
LogP4.07
Rot. Bonds2

About 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 164867004) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
PubChem CID164867004
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1)[C@@H]1COCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H20F3N5O2/c1-30(19-11-33-10-13-7-14(23(24,25)26)4-5-15(13)19)22(32)12-3-6-18-16(8-12)17-9-28-31(2)20(17)21(27)29-18/h3-9,19H,10-11H2,1-2H3,(H2,27,29)/t19-/m1/s1
InChIKeyYDJMFVXHERZIHW-LJQANCHMSA-N
XLogP4.07
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 164867004) is 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3c(cnn3C)c2c1)[C@@H]1COCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
The InChIKey is YDJMFVXHERZIHW-LJQANCHMSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-30(19-11-33-10-13-7-14(23(24,25)26)4-5-15(13)19)22(32)12-3-6-18-16(8-12)17-9-28-31(2)20(17)21(27)29-18/h3-9,19H,10-11H2,1-2H3,(H2,27,29)/t19-/m1/s1.
What are the key properties of 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?
4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-[(4S)-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).