5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C40H41ClN14O2 — CID 142523264

About 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 142523264) has the molecular formula C40H41ClN14O2 and a molecular weight of 785.32 g/mol. Its IUPAC name is 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 142523264
• Molecular Formula: C40H41ClN14O2
• Molecular Weight: 785.32 g/mol
• Exact Mass: 784.32
• IUPAC Name: 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(-c2cn(C(C)C)c3ncc(CCNc4cc(-c5cn(C(C)C)c6ncc(Cl)cc56)nc5c(C(=O)NC6CC6)cnn45)cc23)nc2c(C(N)=O)cnn12
• InChI: InChI=1S/C40H41ClN14O2/c1-20(2)52-18-29(31-12-33(43-5)54-38(50-31)27(16-47-54)35(42)56)25-10-22(14-45-36(25)52)8-9-44-34-13-32(30-19-53(21(3)4)37-26(30)11-23(41)15-46-37)51-39-28(17-48-55(34)39)40(57)49-24-6-7-24/h10-21,24,43-44H,6-9H2,1-5H3,(H2,42,56)(H,49,57)
• InChIKey: QSDGEWKHDNYEET-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 192.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.32
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 142523264) is 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C(C)C)c3ncc(CCNc4cc(-c5cn(C(C)C)c6ncc(Cl)cc56)nc5c(C(=O)NC6CC6)cnn45)cc23)nc2c(C(N)=O)cnn12.

What is the InChIKey of 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is QSDGEWKHDNYEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41ClN14O2/c1-20(2)52-18-29(31-12-33(43-5)54-38(50-31)27(16-47-54)35(42)56)25-10-22(14-45-36(25)52)8-9-44-34-13-32(30-19-53(21(3)4)37-26(30)11-23(41)15-46-37)51-39-28(17-48-55(34)39)40(57)49-24-6-7-24/h10-21,24,43-44H,6-9H2,1-5H3,(H2,42,56)(H,49,57).

What are the key properties of 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 785.32 g/mol, XLogP of 6.31, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-[[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 142523264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).