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

C19H18F6N6O2S — CID 139344496

IUPACN-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H18F6N6O2S/c1-34(32,33)29-13-6-12(19(23,24)25)8-30(10-13)16-4-5-26-17(28-16)14-7-27-15-3-2-11(9-31(14)15)18(20,21)22/h2-5,7,9,12-13,29H,6,8,10H2,1H3
InChIKeySRXGCPOSZUTMGO-UHFFFAOYSA-N
MW508.45 g/mol
LogP3.12
Rot. Bonds4

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

N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (PubChem CID 139344496) has the molecular formula C19H18F6N6O2S and a molecular weight of 508.45 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
PubChem CID139344496
Molecular FormulaC19H18F6N6O2S
Molecular Weight508.45 g/mol
Exact Mass508.11
IUPAC NameN-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H18F6N6O2S/c1-34(32,33)29-13-6-12(19(23,24)25)8-30(10-13)16-4-5-26-17(28-16)14-7-27-15-3-2-11(9-31(14)15)18(20,21)22/h2-5,7,9,12-13,29H,6,8,10H2,1H3
InChIKeySRXGCPOSZUTMGO-UHFFFAOYSA-N
XLogP3.12
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
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N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide (CID 139344496) is N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CC(C(F)(F)F)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
The InChIKey is SRXGCPOSZUTMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N6O2S/c1-34(32,33)29-13-6-12(19(23,24)25)8-30(10-13)16-4-5-26-17(28-16)14-7-27-15-3-2-11(9-31(14)15)18(20,21)22/h2-5,7,9,12-13,29H,6,8,10H2,1H3.
What are the key properties of N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide?
N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide has a molecular weight of 508.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 139344496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).