N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide

C21H25N5O3S — CID 53022532

IUPACN-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C21H25N5O3S/c1-2-20(27)24-15-9-11-17(12-10-15)30(28,29)23-14-19-25-18-8-5-13-22-21(18)26(19)16-6-3-4-7-16/h5,8-13,16,23H,2-4,6-7,14H2,1H3,(H,24,27)
InChIKeyBKRQKBIVWNYSOW-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.37
Rot. Bonds7

About N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide

N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide (PubChem CID 53022532) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
PubChem CID53022532
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC NameN-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C21H25N5O3S/c1-2-20(27)24-15-9-11-17(12-10-15)30(28,29)23-14-19-25-18-8-5-13-22-21(18)26(19)16-6-3-4-7-16/h5,8-13,16,23H,2-4,6-7,14H2,1H3,(H,24,27)
InChIKeyBKRQKBIVWNYSOW-UHFFFAOYSA-N
XLogP3.37
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylbenzenesulfonamide
CID 53022486
4-tert-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzenesulfonamide
CID 53022536
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,5-trimethylbenzenesulfonamide
CID 53022499
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556
2-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 46344109
3-chloro-N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 53011007
N-[(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 53010984
N-[4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methylsulfamoyl]phenyl]acetamide
CID 53021032
1-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]-3-phenylurea
CID 46331496
N-[4-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 53186956
N-[4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95108534
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-methylacetamide
CID 18734143

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide (CID 53022532) is N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)NCc2nc3cccnc3n2C2CCCC2)cc1.
What is the InChIKey of N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide?
The InChIKey is BKRQKBIVWNYSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-2-20(27)24-15-9-11-17(12-10-15)30(28,29)23-14-19-25-18-8-5-13-22-21(18)26(19)16-6-3-4-7-16/h5,8-13,16,23H,2-4,6-7,14H2,1H3,(H,24,27).
What are the key properties of N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide?
N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide has a molecular weight of 427.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 53022532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).