ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine

C61H50F2N16 — CID 145034485

About ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine

ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034485) has the molecular formula C61H50F2N16 and a molecular weight of 1045.18 g/mol. Its IUPAC name is ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034485
• Molecular Formula: C61H50F2N16
• Molecular Weight: 1045.18 g/mol
• Exact Mass: 1044.44
• IUPAC Name: ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)c1ccccc1.CC.Fc1cc(-c2cncc(CN3CCCC3)c2)cc2c(-c3nc4c(-c5ccncc5)nccc4[nH]3)[nH]nc12
• InChI: InChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-5-3-2-4-6-19)36-23-13-22(16-34-17-23)21-14-24-28(25(32)15-21)39-40-29(24)31-37-26-9-12-35-27(30(26)38-31)20-7-10-33-11-8-20;29-22-13-19(20-11-17(14-31-15-20)16-37-9-1-2-10-37)12-21-25(22)35-36-26(21)28-33-23-5-8-32-24(27(23)34-28)18-3-6-30-7-4-18;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);3-8,11-15H,1-2,9-10,16H2,(H,33,34)(H,35,36);1-2H3
• InChIKey: LZDZVSMCDUAUBL-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 207.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1045.18
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine (CID 145034485) is ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is C=C(Nc1cncc(-c2cc(F)c3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2)c1)c1ccccc1.CC.Fc1cc(-c2cncc(CN3CCCC3)c2)cc2c(-c3nc4c(-c5ccncc5)nccc4[nH]3)[nH]nc12.

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

The InChIKey is LZDZVSMCDUAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-5-3-2-4-6-19)36-23-13-22(16-34-17-23)21-14-24-28(25(32)15-21)39-40-29(24)31-37-26-9-12-35-27(30(26)38-31)20-7-10-33-11-8-20;29-22-13-19(20-11-17(14-31-15-20)16-37-9-1-2-10-37)12-21-25(22)35-36-26(21)28-33-23-5-8-32-24(27(23)34-28)18-3-6-30-7-4-18;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);3-8,11-15H,1-2,9-10,16H2,(H,33,34)(H,35,36);1-2H3.

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

ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 1045.18 g/mol, XLogP of 13.23, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-N-(1-phenylethenyl)pyridin-3-amine;2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).