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

C24H33N5O3S — CID 67625287

IUPAC4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CCOCC2)cc1
InChIInChI=1S/C24H33N5O3S/c1-18(2)14-21(17-28-10-12-32-13-11-28)27-33(30,31)22-6-4-20(5-7-22)16-29-19(3)26-23-15-25-9-8-24(23)29/h4-9,15,18,21,27H,10-14,16-17H2,1-3H3/t21-/m0/s1
InChIKeyRTJYPXQGMVPXQG-NRFANRHFSA-N
MW471.63 g/mol
LogP2.81
Rot. Bonds9

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

4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide (PubChem CID 67625287) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
PubChem CID67625287
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide
SMILESCc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CCOCC2)cc1
InChIInChI=1S/C24H33N5O3S/c1-18(2)14-21(17-28-10-12-32-13-11-28)27-33(30,31)22-6-4-20(5-7-22)16-29-19(3)26-23-15-25-9-8-24(23)29/h4-9,15,18,21,27H,10-14,16-17H2,1-3H3/t21-/m0/s1
InChIKeyRTJYPXQGMVPXQG-NRFANRHFSA-N
XLogP2.81
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide (CID 67625287) is 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide is Cc1nc2cnccc2n1Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)CN2CCOCC2)cc1.
What is the InChIKey of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
The InChIKey is RTJYPXQGMVPXQG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-18(2)14-21(17-28-10-12-32-13-11-28)27-33(30,31)22-6-4-20(5-7-22)16-29-19(3)26-23-15-25-9-8-24(23)29/h4-9,15,18,21,27H,10-14,16-17H2,1-3H3/t21-/m0/s1.
What are the key properties of 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide?
4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide has a molecular weight of 471.63 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(2S)-4-methyl-1-morpholin-4-ylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 67625287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).