3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

C45H36N14S2 — CID 145034015

About 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine

3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 145034015) has the molecular formula C45H36N14S2 and a molecular weight of 837.02 g/mol. Its IUPAC name is 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• PubChem CID: 145034015
• Molecular Formula: C45H36N14S2
• Molecular Weight: 837.02 g/mol
• Exact Mass: 836.27
• IUPAC Name: 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
• SMILES: C1=C(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)nc23)CCS1.CC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cn2)c1
• InChI: InChI=1S/C22H15N7S.C21H15N7S.C2H6/c1-12-6-14(9-23-8-12)17-7-15-18(10-25-17)28-29-20(15)22-26-16-2-4-24-19(21(16)27-22)13-3-5-30-11-13;1-5-22-6-2-12(1)16-9-14-17(10-24-16)27-28-19(14)21-25-15-3-7-23-18(20(15)26-21)13-4-8-29-11-13;1-2/h2-11H,1H3,(H,26,27)(H,28,29);1-3,5-7,9-11H,4,8H2,(H,25,26)(H,27,28);1-2H3
• InChIKey: RQXBVUYYQZLZCS-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 192.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.02
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The IUPAC name of 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine (CID 145034015) is 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The canonical SMILES for 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is C1=C(c2nccc3[nH]c(-c4n[nH]c5cnc(-c6ccncc6)cc45)nc23)CCS1.CC.Cc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)nccc5[nH]4)n[nH]c3cn2)c1.

What is the InChIKey of 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

The InChIKey is RQXBVUYYQZLZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7S.C21H15N7S.C2H6/c1-12-6-14(9-23-8-12)17-7-15-18(10-25-17)28-29-20(15)22-26-16-2-4-24-19(21(16)27-22)13-3-5-30-11-13;1-5-22-6-2-12(1)16-9-14-17(10-24-16)27-28-19(14)21-25-15-3-7-23-18(20(15)26-21)13-4-8-29-11-13;1-2/h2-11H,1H3,(H,26,27)(H,28,29);1-3,5-7,9-11H,4,8H2,(H,25,26)(H,27,28);1-2H3.

What are the key properties of 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine?

3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 837.02 g/mol, XLogP of 10.46, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).