2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

C50H41N17O — CID 137172809

About 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 137172809) has the molecular formula C50H41N17O and a molecular weight of 896.00 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• PubChem CID: 137172809
• Molecular Formula: C50H41N17O
• Molecular Weight: 896.00 g/mol
• Exact Mass: 895.37
• IUPAC Name: 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
• SMILES: Cc1cn(-c2cncc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cncc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(NC(=O)C(C)(C)C)c%11)cc9%10)nc78)cn6)cc(-c6cnccc6C)cc45)nc23)cn1
• InChI: InChI=1S/C50H41N17O/c1-26-8-9-51-17-36(26)29-10-30(42-35(14-29)44(65-63-42)48-59-38-18-53-20-40(45(38)61-48)66-22-27(2)55-24-66)11-33-23-67(25-56-33)41-21-54-19-39-46(41)60-47(58-39)43-34-13-28(6-7-37(34)62-64-43)31-12-32(16-52-15-31)57-49(68)50(3,4)5/h6-10,12-25H,11H2,1-5H3,(H,57,68)(H,58,60)(H,59,61)(H,62,64)(H,63,65)
• InChIKey: ISGLHZDHMYPVBC-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 231.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.00
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 137172809) is 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is Cc1cn(-c2cncc3[nH]c(-c4[nH]nc5c(Cc6cn(-c7cncc8[nH]c(-c9n[nH]c%10ccc(-c%11cncc(NC(=O)C(C)(C)C)c%11)cc9%10)nc78)cn6)cc(-c6cnccc6C)cc45)nc23)cn1.

What is the InChIKey of 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

The InChIKey is ISGLHZDHMYPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N17O/c1-26-8-9-51-17-36(26)29-10-30(42-35(14-29)44(65-63-42)48-59-38-18-53-20-40(45(38)61-48)66-22-27(2)55-24-66)11-33-23-67(25-56-33)41-21-54-19-39-46(41)60-47(58-39)43-34-13-28(6-7-37(34)62-64-43)31-12-32(16-52-15-31)57-49(68)50(3,4)5/h6-10,12-25H,11H2,1-5H3,(H,57,68)(H,58,60)(H,59,61)(H,62,64)(H,63,65).

What are the key properties of 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide?

2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 896.00 g/mol, XLogP of 9.00, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[5-[3-[7-[4-[[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 137172809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).