3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide

C51H41N15OS2 — CID 145249075

About 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide (PubChem CID 145249075) has the molecular formula C51H41N15OS2 and a molecular weight of 944.13 g/mol. Its IUPAC name is 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 145249075
• Molecular Formula: C51H41N15OS2
• Molecular Weight: 944.13 g/mol
• Exact Mass: 943.31
• IUPAC Name: 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide
• SMILES: Cc1ccc(-c2cncc3[nH]c(-c4nn(C)c5c(-c6cc(C)sc6-c6cncc7[nH]c(-c8n[nH]c9ccc(-c%10cnccc%10C)nc89)nc67)cc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)s1
• InChI: InChI=1S/C51H41N15OS2/c1-24(2)13-41(67)56-29-15-28(17-53-18-29)37-16-30(48-45(58-37)47(65-66(48)6)51-60-38-22-54-20-33(42(38)61-51)40-10-7-26(4)68-40)31-14-27(5)69-49(31)34-21-55-23-39-43(34)62-50(59-39)46-44-36(63-64-46)9-8-35(57-44)32-19-52-12-11-25(32)3/h7-12,14-24H,13H2,1-6H3,(H,56,67)(H,59,62)(H,60,61)(H,63,64)
• InChIKey: GZWQTFYARVIGRJ-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 210.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	944.13
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide (CID 145249075) is 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide.

What is the SMILES notation for 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The canonical SMILES for 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide is Cc1ccc(-c2cncc3[nH]c(-c4nn(C)c5c(-c6cc(C)sc6-c6cncc7[nH]c(-c8n[nH]c9ccc(-c%10cnccc%10C)nc89)nc67)cc(-c6cncc(NC(=O)CC(C)C)c6)nc45)nc23)s1.

What is the InChIKey of 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide?

The InChIKey is GZWQTFYARVIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N15OS2/c1-24(2)13-41(67)56-29-15-28(17-53-18-29)37-16-30(48-45(58-37)47(65-66(48)6)51-60-38-22-54-20-33(42(38)61-51)40-10-7-26(4)68-40)31-14-27(5)69-49(31)34-21-55-23-39-43(34)62-50(59-39)46-44-36(63-64-46)9-8-35(57-44)32-19-52-12-11-25(32)3/h7-12,14-24H,13H2,1-6H3,(H,56,67)(H,59,62)(H,60,61)(H,63,64).

What are the key properties of 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide?

3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide has a molecular weight of 944.13 g/mol, XLogP of 11.27, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[1-methyl-7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 145249075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).