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

C61H50F2N16 — CID 145034255

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

ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034255) has the molecular formula C61H50F2N16 and a molecular weight of 1045.18 g/mol. Its IUPAC name is ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034255
• Molecular Formula: C61H50F2N16
• Molecular Weight: 1045.18 g/mol
• Exact Mass: 1044.44
• IUPAC Name: ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2F)c1)c1ccccc1.CC.Fc1c(-c2cncc(CN3CCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c12
• InChI: InChI=1S/C31H21FN8.C28H23FN8.C2H6/c1-18(19-5-3-2-4-6-19)36-22-15-21(16-34-17-22)23-7-8-24-26(27(23)32)30(40-39-24)31-37-25-11-14-35-28(29(25)38-31)20-9-12-33-13-10-20;29-24-20(19-13-17(14-31-15-19)16-37-11-1-2-12-37)3-4-21-23(24)27(36-35-21)28-33-22-7-10-32-25(26(22)34-28)18-5-8-30-9-6-18;1-2/h2-17,36H,1H2,(H,37,38)(H,39,40);3-10,13-15H,1-2,11-12,16H2,(H,33,34)(H,35,36);1-2H3
• InChIKey: ZEWITHDIZDMOBV-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-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine (CID 145034255) is ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine.

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

The canonical SMILES for ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccncc6)nccc5[nH]4)c3c2F)c1)c1ccccc1.CC.Fc1c(-c2cncc(CN3CCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccncc5)nccc4[nH]3)c12.

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

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

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

ethane;5-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-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-[4-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-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).