4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide

C24H33N5O3S — CID 67624724

IUPAC4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
SMILESCc1nc2c(Cc3ccc(S(=O)(=O)N[C@@H](CC(C)C)CN4CCOCC4)cc3)nccc2[nH]1
InChIInChI=1S/C24H33N5O3S/c1-17(2)14-20(16-29-10-12-32-13-11-29)28-33(30,31)21-6-4-19(5-7-21)15-23-24-22(8-9-25-23)26-18(3)27-24/h4-9,17,20,28H,10-16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyFDCCOQTVOVGTTR-FQEVSTJZSA-N
MW471.63 g/mol
LogP2.88
Rot. Bonds9

About 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide

4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide (PubChem CID 67624724) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
PubChem CID67624724
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
SMILESCc1nc2c(Cc3ccc(S(=O)(=O)N[C@@H](CC(C)C)CN4CCOCC4)cc3)nccc2[nH]1
InChIInChI=1S/C24H33N5O3S/c1-17(2)14-20(16-29-10-12-32-13-11-29)28-33(30,31)21-6-4-19(5-7-21)15-23-24-22(8-9-25-23)26-18(3)27-24/h4-9,17,20,28H,10-16H2,1-3H3,(H,26,27)/t20-/m0/s1
InChIKeyFDCCOQTVOVGTTR-FQEVSTJZSA-N
XLogP2.88
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(4-methyl-1-morpholin-4-ylpentan-2-yl)benzenesulfonamide
CID 67624887
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
CID 67625287
N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
CID 22408404
N-(2-methoxy-4-methylpentan-3-yl)-N-methyl-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzenesulfonamide
CID 19387815
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
2-[2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethyl (2S)-4-methyl-2-[methyl-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18659953
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 78874200
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-propylbenzenesulfonamide
CID 8844499
4-methyl-N-[(2R)-4-methyl-1-[16-[(2R)-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxopentan-2-yl]benzenesulfonamide
CID 124600524
[6-(4-fluorophenyl)-2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]phenyl]methanone
CID 70112226
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
CID 62151364

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide (CID 67624724) is 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide is Cc1nc2c(Cc3ccc(S(=O)(=O)N[C@@H](CC(C)C)CN4CCOCC4)cc3)nccc2[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is FDCCOQTVOVGTTR-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-17(2)14-20(16-29-10-12-32-13-11-29)28-33(30,31)21-6-4-19(5-7-21)15-23-24-22(8-9-25-23)26-18(3)27-24/h4-9,17,20,28H,10-16H2,1-3H3,(H,26,27)/t20-/m0/s1.
What are the key properties of 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 471.63 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67624724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).