2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C53H47F2N13S2 — CID 145034252

About 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145034252) has the molecular formula C53H47F2N13S2 and a molecular weight of 968.18 g/mol. Its IUPAC name is 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145034252
• Molecular Formula: C53H47F2N13S2
• Molecular Weight: 968.18 g/mol
• Exact Mass: 967.35
• IUPAC Name: 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4cc(F)c(-c5cnccc5C)cc34)nc12.C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cc2F)c1
• InChI: InChI=1S/C28H24FN7S.C25H23FN6S/c1-15(2)8-16(3)32-19-9-18(12-30-13-19)20-10-21-24(11-22(20)29)35-36-26(21)28-33-23-4-6-31-25(27(23)34-28)17-5-7-37-14-17;1-13(2)33-12-15(4)22-24-20(6-8-28-22)29-25(30-24)23-17-9-16(18-11-27-7-5-14(18)3)19(26)10-21(17)31-32-23/h4-7,9-15,32H,3,8H2,1-2H3,(H,33,34)(H,35,36);5-13H,1-4H3,(H,29,30)(H,31,32)/b;15-12+
• InChIKey: HSAJBJJKZUUHLJ-QKGKYSBESA-N
• XLogP: 13.92
• TPSA: 178.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.18
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145034252) is 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4cc(F)c(-c5cnccc5C)cc34)nc12.C=C(CC(C)C)Nc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cc2F)c1.

What is the InChIKey of 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is HSAJBJJKZUUHLJ-QKGKYSBESA-N. The full InChI is InChI=1S/C28H24FN7S.C25H23FN6S/c1-15(2)8-16(3)32-19-9-18(12-30-13-19)20-10-21-24(11-22(20)29)35-36-26(21)28-33-23-4-6-31-25(27(23)34-28)17-5-7-37-14-17;1-13(2)33-12-15(4)22-24-20(6-8-28-22)29-25(30-24)23-17-9-16(18-11-27-7-5-14(18)3)19(26)10-21(17)31-32-23/h4-7,9-15,32H,3,8H2,1-2H3,(H,33,34)(H,35,36);5-13H,1-4H3,(H,29,30)(H,31,32)/b;15-12+.

What are the key properties of 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 968.18 g/mol, XLogP of 13.92, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridine;5-[6-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145034252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).