8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine

C120H129F5N32O7S — CID 165024517

IUPAC8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine
SMILESC1COCCN1.CC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.C[C@@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/3C30H31FN8O2.C25H24FN7.C4H9NO.CH3FS/c3*1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23;1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19;1-3-6-4-2-5-1;1-3-2/h3*2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37);2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32);5H,1-4H2;1H3/t18?,23-;18-,23+;18-,23-;14?,19-;;/m1011../s1
InChIKeyLQZZQLHCMOSEPB-QHTMNDFYSA-N
MW2258.63 g/mol
LogP18.37
Rot. Bonds19

About 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine

8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine (PubChem CID 165024517) has the molecular formula C120H129F5N32O7S and a molecular weight of 2258.63 g/mol. Its IUPAC name is 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine.

Molecular Properties

Compound Name8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine
PubChem CID165024517
Molecular FormulaC120H129F5N32O7S
Molecular Weight2258.63 g/mol
Exact Mass2257.04
IUPAC Name8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine
SMILESC1COCCN1.CC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.C[C@@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12
InChIInChI=1S/3C30H31FN8O2.C25H24FN7.C4H9NO.CH3FS/c3*1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23;1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19;1-3-6-4-2-5-1;1-3-2/h3*2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37);2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32);5H,1-4H2;1H3/t18?,23-;18-,23+;18-,23-;14?,19-;;/m1011../s1
InChIKeyLQZZQLHCMOSEPB-QHTMNDFYSA-N
XLogP18.37
TPSA443.99 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds19
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002258.63
LogP ≤ 518.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine with MolForge

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Related Compounds

N-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[[4-[2-[[1-(difluoromethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]methyl]-5-methylmorpholin-2-yl]-8-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-2-amine
CID 91421822
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172
N-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-2,2,2-trifluoroacetamide
CID 158895503
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4S)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3R,4S)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159963403
N-[6-but-3-enyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-ethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160435668
3,3-difluoro-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(3R)-3-fluoro-N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]morpholine-4-carboxamide;(2S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 160957594
methyl 2-[[4-(4-methylphenyl)-1-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]piperidin-4-yl]methylamino]acetate;methyl 2-[2-[4-[2-[(1-methylpyrazol-4-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetate;8-[4-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-[4-(4-methylphenyl)-4-[(2,2,2-trifluoroethylamino)methyl]piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161199016
4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2,4-difluoroaniline;6,8-difluoro-3-methyl-2,3,4,9-tetrahydro-1H-fluorene;(2,4-difluorophenyl)hydrazine;6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-amine;N-[(3R)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl)-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;2,2,2-trifluoroacetaldehyde
CID 161210766
(1R)-2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol;(1S)-2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol;2,2,2-trifluoro-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethanol
CID 164994635
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(2-morpholin-4-ylethylamino)methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]-2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 173668939
N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide
CID 165024379
N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide
CID 165024380

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine?
The IUPAC name of 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine (CID 165024517) is 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine.
What is the SMILES notation for 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine?
The canonical SMILES for 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine is C1COCCN1.CC(N)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.C[C@@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.C[C@H](NC(=O)N1CCOCC1)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.
What is the InChIKey of 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine?
The InChIKey is LQZZQLHCMOSEPB-QHTMNDFYSA-N. The full InChI is InChI=1S/3C30H31FN8O2.C25H24FN7.C4H9NO.CH3FS/c3*1-18(34-30(40)38-8-10-41-11-9-38)26-17-33-39-28(26)36-27(21-13-22(31)16-32-15-21)37-29(39)35-23-7-6-20-12-19-4-2-3-5-24(19)25(20)14-23;1-14(27)22-13-29-33-24(22)31-23(17-9-18(26)12-28-11-17)32-25(33)30-19-7-6-16-8-15-4-2-3-5-20(15)21(16)10-19;1-3-6-4-2-5-1;1-3-2/h3*2-5,13,15-18,23H,6-12,14H2,1H3,(H,34,40)(H,35,36,37);2-5,9,11-14,19H,6-8,10,27H2,1H3,(H,30,31,32);5H,1-4H2;1H3/t18?,23-;18-,23+;18-,23-;14?,19-;;/m1011../s1.
What are the key properties of 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine?
8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine has a molecular weight of 2258.63 g/mol, XLogP of 18.37, 19 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;N-[(1R)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[(1S)-1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;N-[1-[2-(5-fluoro-3-pyridinyl)-4-[[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]amino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]ethyl]morpholine-4-carboxamide;methyl thiohypofluorite;morpholine is sourced from PubChem (CID 165024517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).