2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite

C85H84F4N18S — CID 159796266

IUPAC2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite
SMILESCC(C)c1cnn2c(NC3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CSF
InChIInChI=1S/3C28H27FN6.CH3FS/c3*1-17(2)25-16-31-35-27(25)33-26(22-12-23(29)15-30-14-22)34-28(35)32-24-9-8-19-10-20(11-21(19)13-24)18-6-4-3-5-7-18;1-3-2/h3*3-7,11-12,14-17,24H,8-10,13H2,1-2H3,(H,32,33,34);1H3/t2*24-;;/m10../s1
InChIKeyNJFFCSLOYLZMSQ-YYISUBIMSA-N
MW1465.79 g/mol
LogP19.83
Rot. Bonds15

About 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite

2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite (PubChem CID 159796266) has the molecular formula C85H84F4N18S and a molecular weight of 1465.79 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite
PubChem CID159796266
Molecular FormulaC85H84F4N18S
Molecular Weight1465.79 g/mol
Exact Mass1464.68
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite
SMILESCC(C)c1cnn2c(NC3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CSF
InChIInChI=1S/3C28H27FN6.CH3FS/c3*1-17(2)25-16-31-35-27(25)33-26(22-12-23(29)15-30-14-22)34-28(35)32-24-9-8-19-10-20(11-21(19)13-24)18-6-4-3-5-7-18;1-3-2/h3*3-7,11-12,14-17,24H,8-10,13H2,1-2H3,(H,32,33,34);1H3/t2*24-;;/m10../s1
InChIKeyNJFFCSLOYLZMSQ-YYISUBIMSA-N
XLogP19.83
TPSA204.00 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001465.79
LogP ≤ 519.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite with MolForge

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Related Compounds

4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 10096527
7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 25125709
8-(3,4-difluorophenyl)-6-methyl-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397987
8-(3,4-difluorophenyl)-N-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58398037
7-N-[(2-fluorophenyl)methyl]-5-N-[5-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl]amino]pentyl]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 59534297
4,6-Bis(4-fluorophenyl)-3-methyl-1-piperidin-4-yl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
CID 68445781
4-[3-[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216790
4-[3-[(3S,4R)-1-benzyl-4-(3-fluorophenyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216874
8-(3,4-difluorophenyl)-N-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 121475518
4-[3-[4-(3-fluorophenyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 122630914
1-[2-[(3,4-difluorophenyl)methyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-ium-1-yl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 123251723
1-[2-[(4-fluorophenyl)methyl]-4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-ium-1-yl]-3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine
CID 123532708

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite (CID 159796266) is 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite is CC(C)c1cnn2c(NC3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCC4=C(C=C(c5ccccc5)C4)C3)nc(-c3cncc(F)c3)nc12.CSF.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite?
The InChIKey is NJFFCSLOYLZMSQ-YYISUBIMSA-N. The full InChI is InChI=1S/3C28H27FN6.CH3FS/c3*1-17(2)25-16-31-35-27(25)33-26(22-12-23(29)15-30-14-22)34-28(35)32-24-9-8-19-10-20(11-21(19)13-24)18-6-4-3-5-7-18;1-3-2/h3*3-7,11-12,14-17,24H,8-10,13H2,1-2H3,(H,32,33,34);1H3/t2*24-;;/m10../s1.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite?
2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite has a molecular weight of 1465.79 g/mol, XLogP of 19.83, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-(2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5R)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite is sourced from PubChem (CID 159796266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).