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

C20H21F5N6O2S — CID 139365067

IUPACN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C20H21F5N6O2S/c1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25/h3-6,8,11-12,14,28H,7,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKeySMBNQRMOGNZPFX-GXTWGEPZSA-N
MW504.49 g/mol
LogP3.07
Rot. Bonds5

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

N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139365067) has the molecular formula C20H21F5N6O2S and a molecular weight of 504.49 g/mol. Its IUPAC name is N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID139365067
Molecular FormulaC20H21F5N6O2S
Molecular Weight504.49 g/mol
Exact Mass504.14
IUPAC NameN-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F
InChIInChI=1S/C20H21F5N6O2S/c1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25/h3-6,8,11-12,14,28H,7,9-10H2,1-2H3/t12-,14+/m0/s1
InChIKeySMBNQRMOGNZPFX-GXTWGEPZSA-N
XLogP3.07
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

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CID 60152613
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
Imidazopyridine 12d
CID 5329350
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
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
CID 90183696
2-Methyl-N-{2-[4-(Methylsulfonyl)piperidin-1-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 91971390
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 139365067) is N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.
What is the InChIKey of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is SMBNQRMOGNZPFX-GXTWGEPZSA-N. The full InChI is InChI=1S/C20H21F5N6O2S/c1-12-9-30(10-14(19(12,21)22)7-28-34(2,32)33)17-5-6-26-18(29-17)15-8-27-16-4-3-13(11-31(15)16)20(23,24)25/h3-6,8,11-12,14,28H,7,9-10H2,1-2H3/t12-,14+/m0/s1.
What are the key properties of N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 504.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-4,4-difluoro-5-methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139365067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).