N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C51H40N14OS2 — CID 145034371

About N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145034371) has the molecular formula C51H40N14OS2 and a molecular weight of 929.11 g/mol. Its IUPAC name is N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145034371
• Molecular Formula: C51H40N14OS2
• Molecular Weight: 929.11 g/mol
• Exact Mass: 928.30
• IUPAC Name: N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CCNCc1cncc(-c2cc(-c3cc(-c4nccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)cs3)c3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C51H40N14OS2/c1-4-52-19-27-13-31(21-53-20-27)30-16-36(44-37(17-30)46(65-63-44)50-59-39-7-10-55-42(47(39)60-50)29-9-12-67-24-29)41-18-33(25-68-41)43-48-40(8-11-56-43)58-49(61-48)45-35-15-28(5-6-38(35)62-64-45)32-14-34(23-54-22-32)57-51(66)26(2)3/h5-18,20-26,52H,4,19H2,1-3H3,(H,57,66)(H,58,61)(H,59,60)(H,62,64)(H,63,65)
• InChIKey: YWBOOIGJYHXDKZ-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 207.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	929.11
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145034371) is N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

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

The canonical SMILES for N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2cc(-c3cc(-c4nccc5[nH]c(-c6n[nH]c7ccc(-c8cncc(NC(=O)C(C)C)c8)cc67)nc45)cs3)c3[nH]nc(-c4nc5c(-c6ccsc6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is YWBOOIGJYHXDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N14OS2/c1-4-52-19-27-13-31(21-53-20-27)30-16-36(44-37(17-30)46(65-63-44)50-59-39-7-10-55-42(47(39)60-50)29-9-12-67-24-29)41-18-33(25-68-41)43-48-40(8-11-56-43)58-49(61-48)45-35-15-28(5-6-38(35)62-64-45)32-14-34(23-54-22-32)57-51(66)26(2)3/h5-18,20-26,52H,4,19H2,1-3H3,(H,57,66)(H,58,61)(H,59,60)(H,62,64)(H,63,65).

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

N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 929.11 g/mol, XLogP of 11.27, 12 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[5-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-7-yl]thiophen-3-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145034371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).