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

C81H80ClF5N24S — CID 158344866

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

4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine (PubChem CID 158344866) has the molecular formula C81H80ClF5N24S and a molecular weight of 1552.21 g/mol. Its IUPAC name is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine.

Molecular Properties

• Compound Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine
• PubChem CID: 158344866
• Molecular Formula: C81H80ClF5N24S
• Molecular Weight: 1552.21 g/mol
• Exact Mass: 1550.63
• IUPAC Name: 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine
• SMILES: CSF.Cc1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(NC3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@@H]3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@H]3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.NC1CCC2=C(C=CC2)C1
• InChI: InChI=1S/3C20H19FN6.C11H7ClFN5.C9H13N.CH3FS/c3*1-12-9-23-27-19(12)25-18(15-7-16(21)11-22-10-15)26-20(27)24-17-6-5-13-3-2-4-14(13)8-17;1-6-3-15-18-10(6)16-9(17-11(18)12)7-2-8(13)5-14-4-7;10-9-5-4-7-2-1-3-8(7)6-9;1-3-2/h3*2,4,7,9-11,17H,3,5-6,8H2,1H3,(H,24,25,26);2-5H,1H3;1,3,9H,2,4-6,10H2;1H3/t2*17-;;;;/m10..../s1
• InChIKey: GRPJUBZHTDNEDR-BYQNJDFCSA-N
• XLogP: 16.84
• TPSA: 285.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.21
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine?

The IUPAC name of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine (CID 158344866) is 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine.

What is the SMILES notation for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine?

The canonical SMILES for 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine is CSF.Cc1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(NC3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@@H]3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.Cc1cnn2c(N[C@H]3CCC4=C(C=CC4)C3)nc(-c3cncc(F)c3)nc12.NC1CCC2=C(C=CC2)C1.

What is the InChIKey of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine?

The InChIKey is GRPJUBZHTDNEDR-BYQNJDFCSA-N. The full InChI is InChI=1S/3C20H19FN6.C11H7ClFN5.C9H13N.CH3FS/c3*1-12-9-23-27-19(12)25-18(15-7-16(21)11-22-10-15)26-20(27)24-17-6-5-13-3-2-4-14(13)8-17;1-6-3-15-18-10(6)16-9(17-11(18)12)7-2-8(13)5-14-4-7;10-9-5-4-7-2-1-3-8(7)6-9;1-3-2/h3*2,4,7,9-11,17H,3,5-6,8H2,1H3,(H,24,25,26);2-5H,1H3;1,3,9H,2,4-6,10H2;1H3/t2*17-;;;;/m10..../s1.

What are the key properties of 4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine?

4-chloro-2-(5-fluoro-3-pyridinyl)-8-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine has a molecular weight of 1552.21 g/mol, XLogP of 16.84, 10 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-methylpyrazolo[1,5-a][1,3,5]triazine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-(4,5,6,7-tetrahydro-1H-inden-5-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5R)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(5S)-4,5,6,7-tetrahydro-1H-inden-5-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;methyl thiohypofluorite;4,5,6,7-tetrahydro-1H-inden-5-amine is sourced from PubChem (CID 158344866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).