N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide

C25H32N4OS — CID 18734099

IUPACN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
SMILESCCSc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1
InChIInChI=1S/C25H32N4OS/c1-4-31-21-13-11-19(12-14-21)25(30)28(16-18(2)3)17-23-27-22-10-7-15-26-24(22)29(23)20-8-5-6-9-20/h7,10-15,18,20H,4-6,8-9,16-17H2,1-3H3
InChIKeyWOZINXAFYCXAAD-UHFFFAOYSA-N
MW436.63 g/mol
LogP5.96
Rot. Bonds8

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide (PubChem CID 18734099) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
PubChem CID18734099
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
SMILESCCSc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1
InChIInChI=1S/C25H32N4OS/c1-4-31-21-13-11-19(12-14-21)25(30)28(16-18(2)3)17-23-27-22-10-7-15-26-24(22)29(23)20-8-5-6-9-20/h7,10-15,18,20H,4-6,8-9,16-17H2,1-3H3
InChIKeyWOZINXAFYCXAAD-UHFFFAOYSA-N
XLogP5.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodo-N-(3-methylbutyl)benzamide
CID 18734106
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-(2-methylpropyl)benzamide
CID 18734109
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732857
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-N-pentylbenzamide
CID 18734097
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(3-methylbutyl)acetamide
CID 46360260
3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-iodobenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexyl-N-(2-methylpropyl)benzamide
CID 157230866
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide (CID 18734099) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide is CCSc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.
What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide?
The InChIKey is WOZINXAFYCXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-4-31-21-13-11-19(12-14-21)25(30)28(16-18(2)3)17-23-27-22-10-7-15-26-24(22)29(23)20-8-5-6-9-20/h7,10-15,18,20H,4-6,8-9,16-17H2,1-3H3.
What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide?
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide has a molecular weight of 436.63 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18734099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).