ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene

C39H38F2N8 — CID 145034545

About ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene

ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene (PubChem CID 145034545) has the molecular formula C39H38F2N8 and a molecular weight of 656.79 g/mol. Its IUPAC name is ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene.

Molecular Properties

• Compound Name: ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene
• PubChem CID: 145034545
• Molecular Formula: C39H38F2N8
• Molecular Weight: 656.79 g/mol
• Exact Mass: 656.32
• IUPAC Name: ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene
• SMILES: C=C=C.CC.CNCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)c1
• InChI: InChI=1S/C34H28F2N8.C3H4.C2H6/c1-37-15-21-9-23(12-25(35)11-21)31-33-29(7-8-40-31)41-34(42-33)32-27-13-26(28(36)14-30(27)43-44-32)24-10-22(18-39-19-24)17-38-16-20-5-3-2-4-6-20;1-3-2;1-2/h2-14,18-19,37-38H,15-17H2,1H3,(H,41,42)(H,43,44);1-2H2;1-2H3
• InChIKey: FYHQBMPGKDHPJS-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 107.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.79
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene?

The IUPAC name of ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene (CID 145034545) is ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene.

What is the SMILES notation for ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene?

The canonical SMILES for ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene is C=C=C.CC.CNCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5cc(F)c(-c6cncc(CNCc7ccccc7)c6)cc45)nc23)c1.

What is the InChIKey of ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene?

The InChIKey is FYHQBMPGKDHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F2N8.C3H4.C2H6/c1-37-15-21-9-23(12-25(35)11-21)31-33-29(7-8-40-31)41-34(42-33)32-27-13-26(28(36)14-30(27)43-44-32)24-10-22(18-39-19-24)17-38-16-20-5-3-2-4-6-20;1-3-2;1-2/h2-14,18-19,37-38H,15-17H2,1H3,(H,41,42)(H,43,44);1-2H2;1-2H3.

What are the key properties of ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene?

ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene has a molecular weight of 656.79 g/mol, XLogP of 8.50, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[[5-[6-fluoro-3-[4-[3-fluoro-5-(methylaminomethyl)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine;propa-1,2-diene is sourced from PubChem (CID 145034545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).