N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide

C19H18F3N5O3S — CID 46830040

IUPACN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide
SMILESCn1cnc2c(C#N)nc(-c3ccc(OCCCNS(C)(=O)=O)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H18F3N5O3S/c1-27-11-24-18-15(10-23)26-14(9-16(18)27)12-4-5-17(13(8-12)19(20,21)22)30-7-3-6-25-31(2,28)29/h4-5,8-9,11,25H,3,6-7H2,1-2H3
InChIKeyUSXNSKGBXVVKGF-UHFFFAOYSA-N
MW453.45 g/mol
LogP2.84
Rot. Bonds7

About N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide

N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide (PubChem CID 46830040) has the molecular formula C19H18F3N5O3S and a molecular weight of 453.45 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide
PubChem CID46830040
Molecular FormulaC19H18F3N5O3S
Molecular Weight453.45 g/mol
Exact Mass453.11
IUPAC NameN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide
SMILESCn1cnc2c(C#N)nc(-c3ccc(OCCCNS(C)(=O)=O)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C19H18F3N5O3S/c1-27-11-24-18-15(10-23)26-14(9-16(18)27)12-4-5-17(13(8-12)19(20,21)22)30-7-3-6-25-31(2,28)29/h4-5,8-9,11,25H,3,6-7H2,1-2H3
InChIKeyUSXNSKGBXVVKGF-UHFFFAOYSA-N
XLogP2.84
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide (CID 46830040) is N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide is Cn1cnc2c(C#N)nc(-c3ccc(OCCCNS(C)(=O)=O)c(C(F)(F)F)c3)cc21.
What is the InChIKey of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide?
The InChIKey is USXNSKGBXVVKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3S/c1-27-11-24-18-15(10-23)26-14(9-16(18)27)12-4-5-17(13(8-12)19(20,21)22)30-7-3-6-25-31(2,28)29/h4-5,8-9,11,25H,3,6-7H2,1-2H3.
What are the key properties of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide?
N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide has a molecular weight of 453.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]methanesulfonamide is sourced from PubChem (CID 46830040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).