5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide

C27H27ClN6O5 — CID 155222624

About 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide

5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide (PubChem CID 155222624) has the molecular formula C27H27ClN6O5 and a molecular weight of 551.00 g/mol. Its IUPAC name is 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

• Compound Name: 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide
• PubChem CID: 155222624
• Molecular Formula: C27H27ClN6O5
• Molecular Weight: 551.00 g/mol
• Exact Mass: 550.17
• IUPAC Name: 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide
• SMILES: Cc1cc(-c2cn(CC(=O)Nc3cc(N4CCOCC4)ncc3Cl)c3ccn(C)c(=O)c23)cc(C(N)=O)c1O
• InChI: InChI=1S/C27H27ClN6O5/c1-15-9-16(10-17(25(15)36)26(29)37)18-13-34(21-3-4-32(2)27(38)24(18)21)14-23(35)31-20-11-22(30-12-19(20)28)33-5-7-39-8-6-33/h3-4,9-13,36H,5-8,14H2,1-2H3,(H2,29,37)(H,30,31,35)
• InChIKey: GIXFFTDCLVXPBK-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 144.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.00
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide?

The IUPAC name of 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide (CID 155222624) is 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide.

What is the SMILES notation for 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide?

The canonical SMILES for 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide is Cc1cc(-c2cn(CC(=O)Nc3cc(N4CCOCC4)ncc3Cl)c3ccn(C)c(=O)c23)cc(C(N)=O)c1O.

What is the InChIKey of 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide?

The InChIKey is GIXFFTDCLVXPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O5/c1-15-9-16(10-17(25(15)36)26(29)37)18-13-34(21-3-4-32(2)27(38)24(18)21)14-23(35)31-20-11-22(30-12-19(20)28)33-5-7-39-8-6-33/h3-4,9-13,36H,5-8,14H2,1-2H3,(H2,29,37)(H,30,31,35).

What are the key properties of 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide?

5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide has a molecular weight of 551.00 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-[(5-chloro-2-morpholin-4-yl-4-pyridinyl)amino]-2-oxoethyl]-5-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 155222624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).