N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

C19H19F5N6O2S — CID 139344306

IUPACN-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F5N6O2S/c1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)18-25-5-4-14(27-18)15-7-26-16-3-2-11(17(20)21)8-30(15)16/h2-5,7-8,12-13,17,28H,6,9-10H2,1H3
InChIKeyRQBVNMGENZCNCN-UHFFFAOYSA-N
MW490.46 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide

N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (PubChem CID 139344306) has the molecular formula C19H19F5N6O2S and a molecular weight of 490.46 g/mol. Its IUPAC name is N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
PubChem CID139344306
Molecular FormulaC19H19F5N6O2S
Molecular Weight490.46 g/mol
Exact Mass490.12
IUPAC NameN-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H19F5N6O2S/c1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)18-25-5-4-14(27-18)15-7-26-16-3-2-11(17(20)21)8-30(15)16/h2-5,7-8,12-13,17,28H,6,9-10H2,1H3
InChIKeyRQBVNMGENZCNCN-UHFFFAOYSA-N
XLogP3.04
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]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-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide (CID 139344306) is N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2nccc(-c3cnc4ccc(C(F)F)cn34)n2)C1.
What is the InChIKey of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is RQBVNMGENZCNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N6O2S/c1-33(31,32)28-13-6-12(19(22,23)24)9-29(10-13)18-25-5-4-14(27-18)15-7-26-16-3-2-11(17(20)21)8-30(15)16/h2-5,7-8,12-13,17,28H,6,9-10H2,1H3.
What are the key properties of N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide?
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 490.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 139344306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).