4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine

C101H96ClF5N24S — CID 159625542

IUPAC4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine
SMILESCC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.NC1CC2=C(C1)c1ccccc1C2
InChIInChI=1S/3C25H23FN6.C13H11ClFN5.C12H13N.CH3FS/c3*1-14(2)22-13-28-32-24(22)30-23(17-8-18(26)12-27-11-17)31-25(32)29-19-9-16-7-15-5-3-4-6-20(15)21(16)10-19;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;13-10-6-9-5-8-3-1-2-4-11(8)12(9)7-10;1-3-2/h3*3-6,8,11-14,19H,7,9-10H2,1-2H3,(H,29,30,31);3-7H,1-2H3;1-4,10H,5-7,13H2;1H3/t2*19-;;;;/m10..../s1
InChIKeyMOLBMBKQZUWUBU-NLMRPXMFSA-N
MW1808.56 g/mol
LogP21.55
Rot. Bonds14

About 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine

4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine (PubChem CID 159625542) has the molecular formula C101H96ClF5N24S and a molecular weight of 1808.56 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine.

Molecular Properties

Compound Name4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine
PubChem CID159625542
Molecular FormulaC101H96ClF5N24S
Molecular Weight1808.56 g/mol
Exact Mass1806.76
IUPAC Name4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine
SMILESCC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.NC1CC2=C(C1)c1ccccc1C2
InChIInChI=1S/3C25H23FN6.C13H11ClFN5.C12H13N.CH3FS/c3*1-14(2)22-13-28-32-24(22)30-23(17-8-18(26)12-27-11-17)31-25(32)29-19-9-16-7-15-5-3-4-6-20(15)21(16)10-19;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;13-10-6-9-5-8-3-1-2-4-11(8)12(9)7-10;1-3-2/h3*3-6,8,11-14,19H,7,9-10H2,1-2H3,(H,29,30,31);3-7H,1-2H3;1-4,10H,5-7,13H2;1H3/t2*19-;;;;/m10..../s1
InChIKeyMOLBMBKQZUWUBU-NLMRPXMFSA-N
XLogP21.55
TPSA285.99 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001808.56
LogP ≤ 521.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine with MolForge

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Related Compounds

4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-ethylpyrazol-3-yl]-N-(4-fluoro-1-methylpyrazol-5-yl)-5-methylpyrimidin-2-amine
CID 155376550
4-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-(difluoromethyl)pyrazol-3-yl]-6-[(7R)-5-[(2,4-difluorophenyl)-difluoromethyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376640
8-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-3-fluoro-1-(3-methyl-1,2,4-thiadiazol-5-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-(3-methyl-1,2,4-thiadiazol-5-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-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 159156434
N-[6-[3-(diethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperazin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-piperidin-1-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160658166
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
N-[(3S,4S)-1-[2-[4-(difluoromethyl)phenyl]-2,2-difluoroethyl]-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-[4-(difluoromethyl)phenyl]-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(4-ethylphenyl)-2,2-difluoroethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4S)-3-fluoro-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 162119698
(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
5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145502241
(6S,15R)-4,4,13,13,14,14-hexadeuterio-9-fluoro-15-methyl-17-methylidene-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaene;(6R,15R)-4,4,13,13,14,14-hexadeuterio-9-fluoro-15-methyl-17-methylidene-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaene;(15R)-4,4,13,13,14,14-hexadeuterio-9-fluoro-15-methyl-17-methylidene-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaene
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3-cyclopropyl-N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;N-[2-(5,7-difluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(5-fluoro-3-pyridinyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
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7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
CID 157460215
4-chloro-2-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a][1,3,5]triazine;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;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
CID 157576578

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine?
The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine (CID 159625542) is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine.
What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine?
The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine is CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CC4=C(C3)c3ccccc3C4)nc(-c3cncc(F)c3)nc12.CSF.NC1CC2=C(C1)c1ccccc1C2.
What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine?
The InChIKey is MOLBMBKQZUWUBU-NLMRPXMFSA-N. The full InChI is InChI=1S/3C25H23FN6.C13H11ClFN5.C12H13N.CH3FS/c3*1-14(2)22-13-28-32-24(22)30-23(17-8-18(26)12-27-11-17)31-25(32)29-19-9-16-7-15-5-3-4-6-20(15)21(16)10-19;1-7(2)10-6-17-20-12(10)18-11(19-13(20)14)8-3-9(15)5-16-4-8;13-10-6-9-5-8-3-1-2-4-11(8)12(9)7-10;1-3-2/h3*3-6,8,11-14,19H,7,9-10H2,1-2H3,(H,29,30,31);3-7H,1-2H3;1-4,10H,5-7,13H2;1H3/t2*19-;;;;/m10..../s1.
What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine?
4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine has a molecular weight of 1808.56 g/mol, XLogP of 21.55, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-(1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydrocyclopenta[a]inden-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;1,2,3,4-tetrahydrocyclopenta[a]inden-2-amine is sourced from PubChem (CID 159625542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).