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

C24H22F3N5O2 — CID 170556805

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

4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 170556805) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
• PubChem CID: 170556805
• Molecular Formula: C24H22F3N5O2
• Molecular Weight: 469.47 g/mol
• Exact Mass: 469.17
• IUPAC Name: 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
• SMILES: C[C@H]1OC[C@@H](N(C)C(=O)c2ccc3nc(N)c4c(cnn4C)c3c2)c2ccc(C(F)(F)F)cc21
• InChI: InChI=1S/C24H22F3N5O2/c1-12-16-9-14(24(25,26)27)5-6-15(16)20(11-34-12)31(2)23(33)13-4-7-19-17(8-13)18-10-29-32(3)21(18)22(28)30-19/h4-10,12,20H,11H2,1-3H3,(H2,28,30)/t12-,20-/m1/s1
• InChIKey: CLSRYPULAYXBIB-MPBGBICISA-N
• XLogP: 4.63
• TPSA: 86.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.47
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-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-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 170556805) is 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-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-[(1R,4S)-1-methyl-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-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is C[C@H]1OC[C@@H](N(C)C(=O)c2ccc3nc(N)c4c(cnn4C)c3c2)c2ccc(C(F)(F)F)cc21.

What is the InChIKey of 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?

The InChIKey is CLSRYPULAYXBIB-MPBGBICISA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-12-16-9-14(24(25,26)27)5-6-15(16)20(11-34-12)31(2)23(33)13-4-7-19-17(8-13)18-10-29-32(3)21(18)22(28)30-19/h4-10,12,20H,11H2,1-3H3,(H2,28,30)/t12-,20-/m1/s1.

What are the key properties of 4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide?

4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 469.47 g/mol, XLogP of 4.63, 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-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 170556805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).