6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C22H19F3N6O2S — CID 42643852

IUPAC6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N6O2S/c1-30-13-19(20(29-30)22(23,24)25)34(32,33)31-9-7-17-15(12-31)6-8-26-21(17)28-16-10-14-4-2-3-5-18(14)27-11-16/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28)
InChIKeyBQFHEKFQBHGMEC-UHFFFAOYSA-N
MW488.50 g/mol
LogP3.87
Rot. Bonds4

About 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 42643852) has the molecular formula C22H19F3N6O2S and a molecular weight of 488.50 g/mol. Its IUPAC name is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID42643852
Molecular FormulaC22H19F3N6O2S
Molecular Weight488.50 g/mol
Exact Mass488.12
IUPAC Name6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N6O2S/c1-30-13-19(20(29-30)22(23,24)25)34(32,33)31-9-7-17-15(12-31)6-8-26-21(17)28-16-10-14-4-2-3-5-18(14)27-11-16/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28)
InChIKeyBQFHEKFQBHGMEC-UHFFFAOYSA-N
XLogP3.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Fluorophenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469115
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CID 145988090
6-(4-Tert-butylphenyl)sulfonyl-7-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine
CID 62707362
7-[3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]cinnolin-4-amine
CID 11502982
6-[4-(4-Benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-sulfonicAcid Amide
CID 44186310
4-[[[6-(6-Fluoro-3-pyridyl)-4-(2,2,2-trifluoroethylamino)pyrido[3,2-d]pyrimidin-2-yl]amino]methyl]benzenesulfonamide
CID 49773659
US9156811, Ddd85624
CID 57393582
US9156811, Ddd86301
CID 57397063
US9156811, Ddd73332
CID 57400517
US9156811, Ddd87763
CID 58561340
N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(1-methylpyrazol-4-yl)pyrido[3,4-b]pyrazin-5-amine
CID 68309298
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469046

Frequently Asked Questions

What is the IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 42643852) is 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is Cn1cc(S(=O)(=O)N2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)c(C(F)(F)F)n1.
What is the InChIKey of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is BQFHEKFQBHGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2S/c1-30-13-19(20(29-30)22(23,24)25)34(32,33)31-9-7-17-15(12-31)6-8-26-21(17)28-16-10-14-4-2-3-5-18(14)27-11-16/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,26,28).
What are the key properties of 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 488.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 42643852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).