3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

C50H38N14OS2 — CID 145037702

About 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (PubChem CID 145037702) has the molecular formula C50H38N14OS2 and a molecular weight of 915.08 g/mol. Its IUPAC name is 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• PubChem CID: 145037702
• Molecular Formula: C50H38N14OS2
• Molecular Weight: 915.08 g/mol
• Exact Mass: 914.28
• IUPAC Name: 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
• SMILES: Cc1ccncc1-c1cc2c(-c3nc4c(-c5sccc5-c5c(C)c(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9cccs9)cncc8[nH]7)n[nH]c56)cncc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C50H38N14OS2/c1-24(2)12-41(65)56-28-13-27(16-52-17-28)30-14-32-45(62-64-47(32)50-57-38-21-53-19-34(43(38)59-50)40-6-5-10-66-40)42(26(30)4)29-8-11-67-48(29)35-20-54-22-39-44(35)60-49(58-39)46-31-15-36(55-23-37(31)61-63-46)33-18-51-9-7-25(33)3/h5-11,13-24H,12H2,1-4H3,(H,56,65)(H,57,59)(H,58,60)(H,61,63)(H,62,64)
• InChIKey: VYQOQGMSSJBEGV-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 208.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	915.08
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?

The IUPAC name of 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide (CID 145037702) is 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide.

What is the SMILES notation for 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?

The canonical SMILES for 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is Cc1ccncc1-c1cc2c(-c3nc4c(-c5sccc5-c5c(C)c(-c6cncc(NC(=O)CC(C)C)c6)cc6c(-c7nc8c(-c9cccs9)cncc8[nH]7)n[nH]c56)cncc4[nH]3)n[nH]c2cn1.

What is the InChIKey of 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?

The InChIKey is VYQOQGMSSJBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N14OS2/c1-24(2)12-41(65)56-28-13-27(16-52-17-28)30-14-32-45(62-64-47(32)50-57-38-21-53-19-34(43(38)59-50)40-6-5-10-66-40)42(26(30)4)29-8-11-67-48(29)35-20-54-22-39-44(35)60-49(58-39)46-31-15-36(55-23-37(31)61-63-46)33-18-51-9-7-25(33)3/h5-11,13-24H,12H2,1-4H3,(H,56,65)(H,57,59)(H,58,60)(H,61,63)(H,62,64).

What are the key properties of 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide?

3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide has a molecular weight of 915.08 g/mol, XLogP of 11.56, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[6-methyl-7-[2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 145037702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).