N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide

C55H51N15O4 — CID 163266457

About N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide

N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide (PubChem CID 163266457) has the molecular formula C55H51N15O4 and a molecular weight of 986.11 g/mol. Its IUPAC name is N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide
• PubChem CID: 163266457
• Molecular Formula: C55H51N15O4
• Molecular Weight: 986.11 g/mol
• Exact Mass: 985.42
• IUPAC Name: N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide
• SMILES: Cn1nc(-c2cccnc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOC(c5ccc(-c6cc(CC(=O)Nc7ccc(-c8nc9c(N%10CCOCC%10)nccc9[nH]8)cc7)n(C)n6)cn5)C4)nccc3[nH]2)cc1
• InChI: InChI=1S/C55H51N15O4/c1-67-40(26-47(65-67)36-4-3-17-56-31-36)28-50(71)60-38-10-5-34(6-11-38)46-30-42-43(62-46)15-18-57-54(42)70-22-25-74-49(33-70)44-14-9-37(32-59-44)48-27-41(68(2)66-48)29-51(72)61-39-12-7-35(8-13-39)53-63-45-16-19-58-55(52(45)64-53)69-20-23-73-24-21-69/h3-19,26-27,30-32,49,62H,20-25,28-29,33H2,1-2H3,(H,60,71)(H,61,72)(H,63,64)
• InChIKey: GTCDIWPGEPMDHP-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 214.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	986.11
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide?

The IUPAC name of N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide (CID 163266457) is N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide.

What is the SMILES notation for N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide?

The canonical SMILES for N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide is Cn1nc(-c2cccnc2)cc1CC(=O)Nc1ccc(-c2cc3c(N4CCOC(c5ccc(-c6cc(CC(=O)Nc7ccc(-c8nc9c(N%10CCOCC%10)nccc9[nH]8)cc7)n(C)n6)cn5)C4)nccc3[nH]2)cc1.

What is the InChIKey of N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide?

The InChIKey is GTCDIWPGEPMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N15O4/c1-67-40(26-47(65-67)36-4-3-17-56-31-36)28-50(71)60-38-10-5-34(6-11-38)46-30-42-43(62-46)15-18-57-54(42)70-22-25-74-49(33-70)44-14-9-37(32-59-44)48-27-41(68(2)66-48)29-51(72)61-39-12-7-35(8-13-39)53-63-45-16-19-58-55(52(45)64-53)69-20-23-73-24-21-69/h3-19,26-27,30-32,49,62H,20-25,28-29,33H2,1-2H3,(H,60,71)(H,61,72)(H,63,64).

What are the key properties of N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide?

N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide has a molecular weight of 986.11 g/mol, XLogP of 7.54, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[2-[5-[1-methyl-5-[2-[4-(4-morpholin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)anilino]-2-oxoethyl]pyrazol-3-yl]-2-pyridinyl]morpholin-4-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl]-2-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)acetamide is sourced from PubChem (CID 163266457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).