N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide

C25H29N5O2S — CID 70345647

IUPACN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)C(CC(C)C)c2ccccn2)cc1
InChIInChI=1S/C25H29N5O2S/c1-18(2)15-25(22-7-5-6-13-27-22)29(4)33(31,32)21-10-8-20(9-11-21)17-30-19(3)28-23-16-26-14-12-24(23)30/h5-14,16,18,25H,15,17H2,1-4H3
InChIKeyVNWJZOKZNRBXGE-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.59
Rot. Bonds8

About N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide (PubChem CID 70345647) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide
PubChem CID70345647
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC NameN-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)C(CC(C)C)c2ccccn2)cc1
InChIInChI=1S/C25H29N5O2S/c1-18(2)15-25(22-7-5-6-13-27-22)29(4)33(31,32)21-10-8-20(9-11-21)17-30-19(3)28-23-16-26-14-12-24(23)30/h5-14,16,18,25H,15,17H2,1-4H3
InChIKeyVNWJZOKZNRBXGE-UHFFFAOYSA-N
XLogP4.59
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)butyl]benzenesulfonamide
CID 70346311
N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[3-methyl-1-(5-propyl-1,3,4-oxadiazol-2-yl)butyl]benzenesulfonamide
CID 70346332
benzyl (2S)-4-methyl-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanoate
CID 18650939
(2S)-2-[methyl-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67745353
N-[(2S)-1-methoxy-3-methylpentan-2-yl]-N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626291
ethyl (2S)-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]pentanoate
CID 11017302
N-[1-(ethoxymethoxy)-4-methylpentan-2-yl]-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
CID 67626297
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-prop-2-enoxypentan-2-yl]benzenesulfonamide
CID 67625068
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
CID 67625287
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(4-methyl-1-morpholin-4-ylpentan-2-yl)benzenesulfonamide
CID 67624887
(2S)-N-[(4-aminophenyl)methyl]-4-methyl-2-[[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]pentanamide
CID 10907446
5-[[4-[[[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]sulfonylamino]methyl]phenyl]diazenyl]-2-hydroxybenzoic acid
CID 135542374

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide (CID 70345647) is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide is Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N(C)C(CC(C)C)c2ccccn2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide?
The InChIKey is VNWJZOKZNRBXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-18(2)15-25(22-7-5-6-13-27-22)29(4)33(31,32)21-10-8-20(9-11-21)17-30-19(3)28-23-16-26-14-12-24(23)30/h5-14,16,18,25H,15,17H2,1-4H3.
What are the key properties of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide?
N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide has a molecular weight of 463.61 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 70345647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).