4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

C19H23N5O2S — CID 89272257

IUPAC4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(N)cc2)nc2cnc(C3CC3)cc21
InChIInChI=1S/C19H23N5O2S/c1-3-24-18-10-16(13-4-5-13)21-11-17(18)22-19(24)12(2)23-27(25,26)15-8-6-14(20)7-9-15/h6-13,23H,3-5,20H2,1-2H3/t12-/m1/s1
InChIKeyUEKMPFBZXSCDAT-GFCCVEGCSA-N
MW385.49 g/mol
LogP2.95
Rot. Bonds6

About 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 89272257) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID89272257
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(N)cc2)nc2cnc(C3CC3)cc21
InChIInChI=1S/C19H23N5O2S/c1-3-24-18-10-16(13-4-5-13)21-11-17(18)22-19(24)12(2)23-27(25,26)15-8-6-14(20)7-9-15/h6-13,23H,3-5,20H2,1-2H3/t12-/m1/s1
InChIKeyUEKMPFBZXSCDAT-GFCCVEGCSA-N
XLogP2.95
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (CID 89272257) is 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(N)cc2)nc2cnc(C3CC3)cc21.
What is the InChIKey of 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is UEKMPFBZXSCDAT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-3-24-18-10-16(13-4-5-13)21-11-17(18)22-19(24)12(2)23-27(25,26)15-8-6-14(20)7-9-15/h6-13,23H,3-5,20H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 89272257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).