3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide

C24H28BrFN4O — CID 18732857

IUPAC3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C24H28BrFN4O/c1-16(2)11-13-29(24(31)17-9-10-20(26)19(25)14-17)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18/h5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3
InChIKeyIOWCSZQSDVBHMZ-UHFFFAOYSA-N
MW487.42 g/mol
LogP6.14
Rot. Bonds7

About 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide

3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 18732857) has the molecular formula C24H28BrFN4O and a molecular weight of 487.42 g/mol. Its IUPAC name is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
PubChem CID18732857
Molecular FormulaC24H28BrFN4O
Molecular Weight487.42 g/mol
Exact Mass486.14
IUPAC Name3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C24H28BrFN4O/c1-16(2)11-13-29(24(31)17-9-10-20(26)19(25)14-17)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18/h5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3
InChIKeyIOWCSZQSDVBHMZ-UHFFFAOYSA-N
XLogP6.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.42
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-(2-methylpropyl)benzamide
CID 18734109
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
CID 18734099
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-difluoro-N-pentylbenzamide
CID 18734067

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide (CID 18732857) is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is IOWCSZQSDVBHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrFN4O/c1-16(2)11-13-29(24(31)17-9-10-20(26)19(25)14-17)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18/h5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3.
What are the key properties of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide?
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide has a molecular weight of 487.42 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 18732857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).