5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

C48H44N14S2 — CID 145244800

About 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145244800) has the molecular formula C48H44N14S2 and a molecular weight of 881.11 g/mol. Its IUPAC name is 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145244800
• Molecular Formula: C48H44N14S2
• Molecular Weight: 881.11 g/mol
• Exact Mass: 880.33
• IUPAC Name: 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C=C/C=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2n1.CC.CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(C6=CSCC6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C23H20N8S.C23H18N6S.C2H6/c1-31(2)15-9-14(10-24-11-15)16-3-4-18-21(26-16)22(30-29-18)23-27-17-5-7-25-19(20(17)28-23)13-6-8-32-12-13;1-3-5-6-14(4-2)16-7-8-18-21(25-16)22(29-28-18)23-26-17-9-11-24-19(20(17)27-23)15-10-12-30-13-15;1-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,27,28)(H,29,30);3-13H,1H2,2H3,(H,26,27)(H,28,29);1-2H3/b;6-5-,14-4+
• InChIKey: LKVFPJQUYZDYAZ-QOCVWFSFSA-N
• XLogP: 11.30
• TPSA: 182.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	881.11
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	4
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 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 145244800) is 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is C=C/C=C\C(=C/C)c1ccc2[nH]nc(-c3nc4c(-c5ccsc5)nccc4[nH]3)c2n1.CC.CN(C)c1cncc(-c2ccc3[nH]nc(-c4nc5c(C6=CSCC6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The InChIKey is LKVFPJQUYZDYAZ-QOCVWFSFSA-N. The full InChI is InChI=1S/C23H20N8S.C23H18N6S.C2H6/c1-31(2)15-9-14(10-24-11-15)16-3-4-18-21(26-16)22(30-29-18)23-27-17-5-7-25-19(20(17)28-23)13-6-8-32-12-13;1-3-5-6-14(4-2)16-7-8-18-21(25-16)22(29-28-18)23-26-17-9-11-24-19(20(17)27-23)15-10-12-30-13-15;1-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,27,28)(H,29,30);3-13H,1H2,2H3,(H,26,27)(H,28,29);1-2H3/b;6-5-,14-4+;.

What are the key properties of 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 881.11 g/mol, XLogP of 11.30, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145244800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).