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

C24H22F3N5O2 — CID 164867001

IUPAC4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCC1OCC(N(C)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)c2ccc(C(F)(F)F)cc21
InChIInChI=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)21-18(22(28)30-19)10-29-32(21)3/h4-10,12,20H,11H2,1-3H3,(H2,28,30)
InChIKeyCAOIXOVYHYWXBK-UHFFFAOYSA-N
MW469.47 g/mol
LogP4.63
Rot. Bonds2

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

4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 164867001) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
PubChem CID164867001
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
SMILESCC1OCC(N(C)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)c2ccc(C(F)(F)F)cc21
InChIInChI=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)21-18(22(28)30-19)10-29-32(21)3/h4-10,12,20H,11H2,1-3H3,(H2,28,30)
InChIKeyCAOIXOVYHYWXBK-UHFFFAOYSA-N
XLogP4.63
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The IUPAC name of 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 164867001) is 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-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-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The canonical SMILES for 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is CC1OCC(N(C)C(=O)c2ccc3nc(N)c4cnn(C)c4c3c2)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
The InChIKey is CAOIXOVYHYWXBK-UHFFFAOYSA-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)21-18(22(28)30-19)10-29-32(21)3/h4-10,12,20H,11H2,1-3H3,(H2,28,30).
What are the key properties of 4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide?
4-amino-N,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-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,1-dimethyl-N-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 164867001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).