4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide

C24H29BrN4O — CID 177300904

IUPAC4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1cnc2c(cc(CN3CCC(c4ccc(C(=O)N(C)C)cc4)CC3)n2C)c1Br
InChIInChI=1S/C24H29BrN4O/c1-16-14-26-23-21(22(16)25)13-20(28(23)4)15-29-11-9-18(10-12-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyXDIPSLXHUUQAFG-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.73
Rot. Bonds4

About 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide

4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177300904) has the molecular formula C24H29BrN4O and a molecular weight of 469.43 g/mol. Its IUPAC name is 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID177300904
Molecular FormulaC24H29BrN4O
Molecular Weight469.43 g/mol
Exact Mass468.15
IUPAC Name4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1cnc2c(cc(CN3CCC(c4ccc(C(=O)N(C)C)cc4)CC3)n2C)c1Br
InChIInChI=1S/C24H29BrN4O/c1-16-14-26-23-21(22(16)25)13-20(28(23)4)15-29-11-9-18(10-12-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3
InChIKeyXDIPSLXHUUQAFG-UHFFFAOYSA-N
XLogP4.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177300904) is 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide is Cc1cnc2c(cc(CN3CCC(c4ccc(C(=O)N(C)C)cc4)CC3)n2C)c1Br.
What is the InChIKey of 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is XDIPSLXHUUQAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O/c1-16-14-26-23-21(22(16)25)13-20(28(23)4)15-29-11-9-18(10-12-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-8,13-14,18H,9-12,15H2,1-4H3.
What are the key properties of 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide has a molecular weight of 469.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177300904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).