5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine

C48H37F4N15S2 — CID 145037196

About 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine

5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 145037196) has the molecular formula C48H37F4N15S2 and a molecular weight of 964.05 g/mol. Its IUPAC name is 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
• PubChem CID: 145037196
• Molecular Formula: C48H37F4N15S2
• Molecular Weight: 964.05 g/mol
• Exact Mass: 963.27
• IUPAC Name: 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine
• SMILES: C=C(/C(F)=c1/c(-c2nc3c(-c4ccc(F)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N)c1.CCCNCc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccc(F)s6)cncc5[nH]4)c3c2F)c1
• InChI: InChI=1S/C25H20F2N8S.C23H17F2N7S/c1-2-5-28-7-13-6-14(9-29-8-13)22-21(27)20-16(12-31-22)34-35-24(20)25-32-17-11-30-10-15(23(17)33-25)18-3-4-19(26)36-18;1-3-15-19(20(25)11(2)12-6-13(26)8-27-7-12)22(32-31-15)23-29-16-10-28-9-14(21(16)30-23)17-4-5-18(24)33-17/h3-4,6,8-12,28H,2,5,7H2,1H3,(H,32,33)(H,34,35);3-10,31H,2,26H2,1H3,(H,29,30)/b;15-3+,20-19-
• InChIKey: BZOXYFLESQVXSI-RTASSUKCSA-N
• XLogP: 9.25
• TPSA: 217.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	964.05
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?

The IUPAC name of 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine (CID 145037196) is 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine.

What is the SMILES notation for 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?

The canonical SMILES for 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine is C=C(/C(F)=c1/c(-c2nc3c(-c4ccc(F)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cncc(N)c1.CCCNCc1cncc(-c2ncc3[nH]nc(-c4nc5c(-c6ccc(F)s6)cncc5[nH]4)c3c2F)c1.

What is the InChIKey of 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?

The InChIKey is BZOXYFLESQVXSI-RTASSUKCSA-N. The full InChI is InChI=1S/C25H20F2N8S.C23H17F2N7S/c1-2-5-28-7-13-6-14(9-29-8-13)22-21(27)20-16(12-31-22)34-35-24(20)25-32-17-11-30-10-15(23(17)33-25)18-3-4-19(26)36-18;1-3-15-19(20(25)11(2)12-6-13(26)8-27-7-12)22(32-31-15)23-29-16-10-28-9-14(21(16)30-23)17-4-5-18(24)33-17/h3-4,6,8-12,28H,2,5,7H2,1H3,(H,32,33)(H,34,35);3-10,31H,2,26H2,1H3,(H,29,30)/b;15-3+,20-19-.

What are the key properties of 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine?

5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 964.05 g/mol, XLogP of 9.25, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3Z)-3-[(5E)-5-ethylidene-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine;N-[[5-[4-fluoro-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 145037196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).