2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine

C113H117BrClF5N30OS — CID 165066572

About 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine

2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine (PubChem CID 165066572) has the molecular formula C113H117BrClF5N30OS and a molecular weight of 2153.80 g/mol. Its IUPAC name is 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine.

Molecular Properties

• Compound Name: 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine
• PubChem CID: 165066572
• Molecular Formula: C113H117BrClF5N30OS
• Molecular Weight: 2153.80 g/mol
• Exact Mass: 2150.85
• IUPAC Name: 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine
• SMILES: CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC1CCC(=O)CC1.CSF.NC1CCC2=C(C1)c1ncccc1C2.Nc1cccnc1Br
• InChI: InChI=1S/3C25H24FN7.C13H11ClFN5.C12H14N2.C7H12O.C5H5BrN2.CH3FS/c3*1-14(2)21-13-29-33-24(21)31-23(17-9-18(26)12-27-11-17)32-25(33)30-19-6-5-15-8-16-4-3-7-28-22(16)20(15)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;13-10-4-3-8-6-9-2-1-5-14-12(9)11(8)7-10;1-6-2-4-7(8)5-3-6;6-5-4(7)2-1-3-8-5;1-3-2/h3*3-4,7,9,11-14,19H,5-6,8,10H2,1-2H3,(H,30,31,32);3-7H,1-2H3;1-2,5,10H,3-4,6-7,13H2;6H,2-5H2,1H3;1-3H,7H2;1H3/t2*19-;;;;;;/m10....../s1
• InChIKey: SBHFDRLLXIFKLV-TZIIVPKHSA-N
• XLogP: 23.88
• TPSA: 393.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.80
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine?

The IUPAC name of 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine (CID 165066572) is 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine.

What is the SMILES notation for 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine?

The canonical SMILES for 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine is CC(C)c1cnn2c(Cl)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(NC3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC(C)c1cnn2c(N[C@H]3CCC4=C(C3)c3ncccc3C4)nc(-c3cncc(F)c3)nc12.CC1CCC(=O)CC1.CSF.NC1CCC2=C(C1)c1ncccc1C2.Nc1cccnc1Br.

What is the InChIKey of 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine?

The InChIKey is SBHFDRLLXIFKLV-TZIIVPKHSA-N. The full InChI is InChI=1S/3C25H24FN7.C13H11ClFN5.C12H14N2.C7H12O.C5H5BrN2.CH3FS/c3*1-14(2)21-13-29-33-24(21)31-23(17-9-18(26)12-27-11-17)32-25(33)30-19-6-5-15-8-16-4-3-7-28-22(16)20(15)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;13-10-4-3-8-6-9-2-1-5-14-12(9)11(8)7-10;1-6-2-4-7(8)5-3-6;6-5-4(7)2-1-3-8-5;1-3-2/h3*3-4,7,9,11-14,19H,5-6,8,10H2,1-2H3,(H,30,31,32);3-7H,1-2H3;1-2,5,10H,3-4,6-7,13H2;6H,2-5H2,1H3;1-3H,7H2;1H3/t2*19-;;;;;;/m10....../s1.

What are the key properties of 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine?

2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine has a molecular weight of 2153.80 g/mol, XLogP of 23.88, 14 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridin-3-amine;4-chloro-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine;N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8R)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;(8S)-N-[2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]-6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine;4-methylcyclohexan-1-one;methyl thiohypofluorite;6,7,8,9-tetrahydro-5H-indeno[1,2-b]pyridin-8-amine is sourced from PubChem (CID 165066572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).