ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine

C55H52F2N14S2 — CID 145033638

About ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine

ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine (PubChem CID 145033638) has the molecular formula C55H52F2N14S2 and a molecular weight of 1011.25 g/mol. Its IUPAC name is ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine.

Molecular Properties

• Compound Name: ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
• PubChem CID: 145033638
• Molecular Formula: C55H52F2N14S2
• Molecular Weight: 1011.25 g/mol
• Exact Mass: 1010.39
• IUPAC Name: ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine
• SMILES: C=C/C(=C\C(=C/C)c1ncc2[nH]nc(-c3nc4c(-c5ccc(C)s5)nccc4[nH]3)c2c1F)NC(=C)CC(C)C.CC.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cnccc6C)c(F)c45)nc23)s1
• InChI: InChI=1S/C30H30FN7S.C23H16FN7S.C2H6/c1-7-19(14-20(8-2)34-17(5)13-16(3)4)26-25(31)24-22(15-33-26)37-38-29(24)30-35-21-11-12-32-28(27(21)36-30)23-10-9-18(6)39-23;1-11-5-7-25-9-13(11)19-18(24)17-15(10-27-19)30-31-22(17)23-28-14-6-8-26-21(20(14)29-23)16-4-3-12(2)32-16;1-2/h7-12,14-16,34H,2,5,13H2,1,3-4,6H3,(H,35,36)(H,37,38);3-10H,1-2H3,(H,28,29)(H,30,31);1-2H3/b19-7+,20-14+
• InChIKey: ROSZFNJTZCGKCC-IOHLEHGGSA-N
• XLogP: 14.16
• TPSA: 191.20 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.25
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine (CID 145033638) is ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine.

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

The canonical SMILES for ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine is C=C/C(=C\C(=C/C)c1ncc2[nH]nc(-c3nc4c(-c5ccc(C)s5)nccc4[nH]3)c2c1F)NC(=C)CC(C)C.CC.Cc1ccc(-c2nccc3[nH]c(-c4n[nH]c5cnc(-c6cnccc6C)c(F)c45)nc23)s1.

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

The InChIKey is ROSZFNJTZCGKCC-IOHLEHGGSA-N. The full InChI is InChI=1S/C30H30FN7S.C23H16FN7S.C2H6/c1-7-19(14-20(8-2)34-17(5)13-16(3)4)26-25(31)24-22(15-33-26)37-38-29(24)30-35-21-11-12-32-28(27(21)36-30)23-10-9-18(6)39-23;1-11-5-7-25-9-13(11)19-18(24)17-15(10-27-19)30-31-22(17)23-28-14-6-8-26-21(20(14)29-23)16-4-3-12(2)32-16;1-2/h7-12,14-16,34H,2,5,13H2,1,3-4,6H3,(H,35,36)(H,37,38);3-10H,1-2H3,(H,28,29)(H,30,31);1-2H3/b19-7+,20-14+;;.

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

ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine has a molecular weight of 1011.25 g/mol, XLogP of 14.16, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-fluoro-5-(4-methyl-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;(3E,5E)-5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 145033638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).