N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine

C22H25F4N7 — CID 146518517

IUPACN-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine
SMILESFCCCN1CC(Nc2cnc([C@@H]3c4ccc5[nH]ncc5c4CCN3CC(F)(F)F)cn2)C1
InChIInChI=1S/C22H25F4N7/c23-5-1-6-32-11-14(12-32)30-20-10-27-19(9-28-20)21-16-2-3-18-17(8-29-31-18)15(16)4-7-33(21)13-22(24,25)26/h2-3,8-10,14,21H,1,4-7,11-13H2,(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyLLBFWUVWXFXMTF-NRFANRHFSA-N
MW463.48 g/mol
LogP3.32
Rot. Bonds7

About N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine

N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine (PubChem CID 146518517) has the molecular formula C22H25F4N7 and a molecular weight of 463.48 g/mol. Its IUPAC name is N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine
PubChem CID146518517
Molecular FormulaC22H25F4N7
Molecular Weight463.48 g/mol
Exact Mass463.21
IUPAC NameN-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine
SMILESFCCCN1CC(Nc2cnc([C@@H]3c4ccc5[nH]ncc5c4CCN3CC(F)(F)F)cn2)C1
InChIInChI=1S/C22H25F4N7/c23-5-1-6-32-11-14(12-32)30-20-10-27-19(9-28-20)21-16-2-3-18-17(8-29-31-18)15(16)4-7-33(21)13-22(24,25)26/h2-3,8-10,14,21H,1,4-7,11-13H2,(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyLLBFWUVWXFXMTF-NRFANRHFSA-N
XLogP3.32
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine with MolForge

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Related Compounds

5-[(6S,8R)-7-[(1-fluorocyclopropyl)methyl]-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine
CID 134453554
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
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
5-[(1S)-2-but-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrazin-2-amine
CID 167072748
N-[1-(3-fluoropropyl)azetidin-3-yl]-6-[(6S)-7-(2-fluoropropyl)-8,8-dimethyl-6,9-dihydro-3H-pyrazolo[4,5-f]isoquinolin-6-yl]pyridin-3-amine
CID 134477427
(3R)-N-[3,5-dichloro-4-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]-1-(3-fluoropropyl)pyrrolidin-3-amine
CID 164855363
N-[4-[(6S,8R)-7-(2,2-difluoropropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
CID 134453506
N-[4-[(8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
CID 139374273
(6S,8R)-6-[5-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-2-pyridinyl]-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinoline
CID 162663818
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
6-(5-bromo-2-pyridinyl)-7-(2,2-difluoro-3-methoxypropyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinoline
CID 134477448
7-(2,2-difluoroethyl)-6-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxy-2-methoxyphenyl]-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinoline
CID 134478286

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine?
The IUPAC name of N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine (CID 146518517) is N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine.
What is the SMILES notation for N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine?
The canonical SMILES for N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine is FCCCN1CC(Nc2cnc([C@@H]3c4ccc5[nH]ncc5c4CCN3CC(F)(F)F)cn2)C1.
What is the InChIKey of N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine?
The InChIKey is LLBFWUVWXFXMTF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25F4N7/c23-5-1-6-32-11-14(12-32)30-20-10-27-19(9-28-20)21-16-2-3-18-17(8-29-31-18)15(16)4-7-33(21)13-22(24,25)26/h2-3,8-10,14,21H,1,4-7,11-13H2,(H,28,30)(H,29,31)/t21-/m0/s1.
What are the key properties of N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine?
N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine has a molecular weight of 463.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoropropyl)azetidin-3-yl]-5-[(6S)-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 146518517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).