ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

C53H45F2N13S2 — CID 145034355

About ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine

ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (PubChem CID 145034355) has the molecular formula C53H45F2N13S2 and a molecular weight of 966.16 g/mol. Its IUPAC name is ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• PubChem CID: 145034355
• Molecular Formula: C53H45F2N13S2
• Molecular Weight: 966.16 g/mol
• Exact Mass: 965.33
• IUPAC Name: ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
• SMILES: C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1.CC.Cc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4c(-c5cccs5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C28H24FN7S.C23H15FN6S.C2H6/c1-15(2)9-16(3)32-19-10-18(13-30-14-19)17-11-20-24(21(29)12-17)35-36-25(20)28-33-22-6-7-31-27(26(22)34-28)23-5-4-8-37-23;1-12-4-6-25-11-15(12)13-9-14-19(16(24)10-13)29-30-20(14)23-27-17-5-7-26-22(21(17)28-23)18-3-2-8-31-18;1-2/h4-8,10-15,32H,3,9H2,1-2H3,(H,33,34)(H,35,36);2-11H,1H3,(H,27,28)(H,29,30);1-2H3
• InChIKey: HZBYLMSYNIIABX-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 178.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.16
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The IUPAC name of ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine (CID 145034355) is ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine.

What is the SMILES notation for ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The canonical SMILES for ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is C=C(CC(C)C)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1.CC.Cc1ccncc1-c1cc(F)c2n[nH]c(-c3nc4c(-c5cccs5)nccc4[nH]3)c2c1.

What is the InChIKey of ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

The InChIKey is HZBYLMSYNIIABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7S.C23H15FN6S.C2H6/c1-15(2)9-16(3)32-19-10-18(13-30-14-19)17-11-20-24(21(29)12-17)35-36-25(20)28-33-22-6-7-31-27(26(22)34-28)23-5-4-8-37-23;1-12-4-6-25-11-15(12)13-9-14-19(16(24)10-13)29-30-20(14)23-27-17-5-7-26-22(21(17)28-23)18-3-2-8-31-18;1-2/h4-8,10-15,32H,3,9H2,1-2H3,(H,33,34)(H,35,36);2-11H,1H3,(H,27,28)(H,29,30);1-2H3.

What are the key properties of ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine?

ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine has a molecular weight of 966.16 g/mol, XLogP of 14.17, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine;5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145034355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).