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

C29H24F3N5O2 — CID 164867040

IUPAC4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C29H24F3N5O2/c1-36(28(38)18-6-10-24-22(12-18)26-23(27(33)35-24)13-34-37(26)2)25-15-39-14-19-11-17(5-9-21(19)25)16-3-7-20(8-4-16)29(30,31)32/h3-13,25H,14-15H2,1-2H3,(H2,33,35)
InChIKeyLZVXMXARESBNCL-UHFFFAOYSA-N
MW531.54 g/mol
LogP5.73
Rot. Bonds3

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

4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 164867040) has the molecular formula C29H24F3N5O2 and a molecular weight of 531.54 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164867040
Molecular FormulaC29H24F3N5O2
Molecular Weight531.54 g/mol
Exact Mass531.19
IUPAC Name4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C29H24F3N5O2/c1-36(28(38)18-6-10-24-22(12-18)26-23(27(33)35-24)13-34-37(26)2)25-15-39-14-19-11-17(5-9-21(19)25)16-3-7-20(8-4-16)29(30,31)32/h3-13,25H,14-15H2,1-2H3,(H2,33,35)
InChIKeyLZVXMXARESBNCL-UHFFFAOYSA-N
XLogP5.73
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.54
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

Methyl 4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzoate
CID 168280421
US11186582, Example 295
CID 118471185
US12486251, Example 16
CID 167430050
US12486251, Example 29
CID 167524034
US12486251, Example 20
CID 167524035
US12486251, Example 22
CID 167524055
US12486251, Example 18
CID 167524069
4-amino-N-methyl-N-[7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]imidazo[1,5-a]quinoxaline-8-carboxamide
CID 172101276
Methyl 1-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]indazole-5-carboxylate
CID 91343003
3-Methyl-5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-7-(phenylmethoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 139392091
2-amino-N-[(4S)-3,4-dihydro-1H-isochromen-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830329
2-amino-N-[(4R)-3,4-dihydro-1H-isochromen-4-yl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830454

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 164867040) is 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.
What is the SMILES notation for 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is CN(C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1)C1COCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is LZVXMXARESBNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O2/c1-36(28(38)18-6-10-24-22(12-18)26-23(27(33)35-24)13-34-37(26)2)25-15-39-14-19-11-17(5-9-21(19)25)16-3-7-20(8-4-16)29(30,31)32/h3-13,25H,14-15H2,1-2H3,(H2,33,35).
What are the key properties of 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 531.54 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-dimethyl-N-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).