6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

C22H24F4N6 — CID 137372170

IUPAC6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESC[C@@H]1Cc2c(ccc3n[nH]c(F)c23)[C@@H](c2ccc(N[C@H]3CCNC3)cn2)N1CC(F)(F)F
InChIInChI=1S/C22H24F4N6/c1-12-8-16-15(3-5-17-19(16)21(23)31-30-17)20(32(12)11-22(24,25)26)18-4-2-13(10-28-18)29-14-6-7-27-9-14/h2-5,10,12,14,20,27,29H,6-9,11H2,1H3,(H,30,31)/t12-,14+,20+/m1/s1
InChIKeyYCGWVXUZFKRXOB-VQZRKKFQSA-N
MW448.47 g/mol
LogP3.77
Rot. Bonds4

About 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 137372170) has the molecular formula C22H24F4N6 and a molecular weight of 448.47 g/mol. Its IUPAC name is 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
PubChem CID137372170
Molecular FormulaC22H24F4N6
Molecular Weight448.47 g/mol
Exact Mass448.20
IUPAC Name6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESC[C@@H]1Cc2c(ccc3n[nH]c(F)c23)[C@@H](c2ccc(N[C@H]3CCNC3)cn2)N1CC(F)(F)F
InChIInChI=1S/C22H24F4N6/c1-12-8-16-15(3-5-17-19(16)21(23)31-30-17)20(32(12)11-22(24,25)26)18-4-2-13(10-28-18)29-14-6-7-27-9-14/h2-5,10,12,14,20,27,29H,6-9,11H2,1H3,(H,30,31)/t12-,14+,20+/m1/s1
InChIKeyYCGWVXUZFKRXOB-VQZRKKFQSA-N
XLogP3.77
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine with MolForge

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Related Compounds

5-[(8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine
CID 139374276
[(3R)-1-[5-[[1-(3-fluoropropyl)azetidin-3-yl]amino]-2-pyridinyl]-3,5-dimethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-6-yl] trifluoromethanesulfonate
CID 166807512
6-[(6S,8R)-5-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 162647586
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1S,3S)-3-methyl-6-(1H-pyrazol-5-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
CID 146265475
(1S,3R)-1-[5-[[1-(3-fluoropropyl)azetidin-3-yl]amino]-2-pyridinyl]-3-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 170960044
6-[(1S,3R)-6-fluoro-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]pyridin-3-amine
CID 166473174
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-4-methyl-5-(2,2,2-trifluoroethyl)-5,8-diazatetracyclo[7.6.0.02,7.011,14]pentadeca-1(9),2(7),10,14-tetraen-6-yl]pyridin-3-amine
CID 174351392
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-(1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
CID 146265491
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-pyrazol-1-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
CID 146265503
6-[(1S,3R)-3,6-dimethyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-N-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]pyridin-3-amine
CID 166473173
1-(3-fluoropropyl)-N-[4-[(6R,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]azetidin-3-amine
CID 134458798
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(1R,3R)-3-methyl-6-(1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-1-yl]pyridin-3-amine
CID 146265458

Frequently Asked Questions

What is the IUPAC name of 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (CID 137372170) is 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is C[C@@H]1Cc2c(ccc3n[nH]c(F)c23)[C@@H](c2ccc(N[C@H]3CCNC3)cn2)N1CC(F)(F)F.
What is the InChIKey of 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is YCGWVXUZFKRXOB-VQZRKKFQSA-N. The full InChI is InChI=1S/C22H24F4N6/c1-12-8-16-15(3-5-17-19(16)21(23)31-30-17)20(32(12)11-22(24,25)26)18-4-2-13(10-28-18)29-14-6-7-27-9-14/h2-5,10,12,14,20,27,29H,6-9,11H2,1H3,(H,30,31)/t12-,14+,20+/m1/s1.
What are the key properties of 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 448.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6S,8R)-1-fluoro-8-methyl-7-(2,2,2-trifluoroethyl)-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 137372170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).