N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

C55H56N14O — CID 145254829

About N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145254829) has the molecular formula C55H56N14O and a molecular weight of 929.15 g/mol. Its IUPAC name is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• PubChem CID: 145254829
• Molecular Formula: C55H56N14O
• Molecular Weight: 929.15 g/mol
• Exact Mass: 928.48
• IUPAC Name: N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
• SMILES: CCNCc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)cccc5[nH]4)[nH]nc3c(C3CCCN(c4cccc5[nH]c(-c6n[nH]c7cnc(-c8cncc(NC(=O)C(C)C)c8)cc67)cc45)C3)n2)c1
• InChI: InChI=1S/C55H56N14O/c1-4-56-25-33-19-35(27-57-26-33)45-24-41-53(47-21-38-42(62-47)12-8-14-49(38)68-16-6-5-7-17-68)66-67-54(41)51(63-45)34-11-10-18-69(31-34)50-15-9-13-43-39(50)22-46(61-43)52-40-23-44(59-30-48(40)64-65-52)36-20-37(29-58-28-36)60-55(70)32(2)3/h8-9,12-15,19-24,26-30,32,34,56,61-62H,4-7,10-11,16-18,25,31H2,1-3H3,(H,60,70)(H,64,65)(H,66,67)
• InChIKey: AAEVHFHHLZADCC-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 188.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.15
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 145254829) is N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide.

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

The canonical SMILES for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is CCNCc1cncc(-c2cc3c(-c4cc5c(N6CCCCC6)cccc5[nH]4)[nH]nc3c(C3CCCN(c4cccc5[nH]c(-c6n[nH]c7cnc(-c8cncc(NC(=O)C(C)C)c8)cc67)cc45)C3)n2)c1.

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

The InChIKey is AAEVHFHHLZADCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H56N14O/c1-4-56-25-33-19-35(27-57-26-33)45-24-41-53(47-21-38-42(62-47)12-8-14-49(38)68-16-6-5-7-17-68)66-67-54(41)51(63-45)34-11-10-18-69(31-34)50-15-9-13-43-39(50)22-46(61-43)52-40-23-44(59-30-48(40)64-65-52)36-20-37(29-58-28-36)60-55(70)32(2)3/h8-9,12-15,19-24,26-30,32,34,56,61-62H,4-7,10-11,16-18,25,31H2,1-3H3,(H,60,70)(H,64,65)(H,66,67).

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

N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 929.15 g/mol, XLogP of 10.73, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-c]pyridin-7-yl]piperidin-1-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145254829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).