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

C24H29BrN4O — CID 177300655

IUPAC4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1c(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)n(C)c2nccc(Br)c12
InChIInChI=1S/C24H29BrN4O/c1-16-21(28(4)23-22(16)20(25)9-12-26-23)15-29-13-10-18(11-14-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-9,12,18H,10-11,13-15H2,1-4H3
InChIKeyUFHVKGCLFVKMDC-UHFFFAOYSA-N
MW469.43 g/mol
LogP4.73
Rot. Bonds4

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

4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide (PubChem CID 177300655) has the molecular formula C24H29BrN4O and a molecular weight of 469.43 g/mol. Its IUPAC name is 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
PubChem CID177300655
Molecular FormulaC24H29BrN4O
Molecular Weight469.43 g/mol
Exact Mass468.15
IUPAC Name4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
SMILESCc1c(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)n(C)c2nccc(Br)c12
InChIInChI=1S/C24H29BrN4O/c1-16-21(28(4)23-22(16)20(25)9-12-26-23)15-29-13-10-18(11-14-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-9,12,18H,10-11,13-15H2,1-4H3
InChIKeyUFHVKGCLFVKMDC-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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Related Compounds

4-[1-[(4-bromo-1,5-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177300904
4-[1-[[4-(5-amino-3-fluoro-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353861
4-[1-[[4-(5-amino-3-methylpyrazin-2-yl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353901
N,N-dimethyl-4-[1-[[1-methyl-4-[6-(methylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]benzamide
CID 177354049
4-[(3S,4R)-1-[(4-bromo-1-methylpyrrolo[2,3-b]pyridin-2-yl)methyl]-3-fluoropiperidin-4-yl]-N,N-dimethylbenzamide
CID 177301466
4-[1-[[4-(6-amino-5-methylsulfonyl-3-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354116
4-[1-[[4-[6-(hydroxymethylamino)-3-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353496
4-[1-[[4-(5-amino-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-bis(trideuteriomethyl)benzamide
CID 177353580
4-[1-[[4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177353891
4-[1-[[4-(5-amino-6-methoxy-2-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-2-yl]methyl]piperidin-4-yl]-N,N-dimethylbenzamide
CID 177354000
ethyl N-[1-[2-[[4-[4-(dimethylcarbamoyl)phenyl]piperidin-1-yl]methyl]-1-methylpyrrolo[2,3-b]pyridin-4-yl]-2-oxo-4-pyridinyl]carbamate
CID 177300965
tert-butyl 4-[[4-[[4-[1-[(4-bromo-1-methylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]benzoyl]-methylamino]phenyl]methyl]piperidine-1-carboxylate
CID 177300892

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide (CID 177300655) is 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide is Cc1c(CN2CCC(c3ccc(C(=O)N(C)C)cc3)CC2)n(C)c2nccc(Br)c12.
What is the InChIKey of 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
The InChIKey is UFHVKGCLFVKMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O/c1-16-21(28(4)23-22(16)20(25)9-12-26-23)15-29-13-10-18(11-14-29)17-5-7-19(8-6-17)24(30)27(2)3/h5-9,12,18H,10-11,13-15H2,1-4H3.
What are the key properties of 4-[1-[(4-bromo-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide?
4-[1-[(4-bromo-1,3-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-1,3-dimethylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 177300655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).