3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane

C33H33ClF6N10O2S — CID 157313909

IUPAC3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.C[C@H]1CN(c2cccc(-c3cnc4cnc(C(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)c1cn2c(-c3cccc(Cl)n3)cnc2cn1
InChIInChI=1S/C20H22F4N6O2S.C12H7ClF2N4.CH4/c1-12-9-29(10-13(20(12,23)24)6-27-33(2,31)32)17-5-3-4-14(28-17)16-7-26-18-8-25-15(19(21)22)11-30(16)18;13-10-3-1-2-7(18-10)9-4-17-11-5-16-8(12(14)15)6-19(9)11;/h3-5,7-8,11-13,19,27H,6,9-10H2,1-2H3;1-6,12H;1H4/t12-,13+;;/m0../s1
InChIKeyBDJBUROELYKMAJ-CQSOCPNPSA-N
MW783.20 g/mol
LogP7.00
Rot. Bonds8

About 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane

3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane (PubChem CID 157313909) has the molecular formula C33H33ClF6N10O2S and a molecular weight of 783.20 g/mol. Its IUPAC name is 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane.

Molecular Properties

Compound Name3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane
PubChem CID157313909
Molecular FormulaC33H33ClF6N10O2S
Molecular Weight783.20 g/mol
Exact Mass782.21
IUPAC Name3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane
SMILESC.C[C@H]1CN(c2cccc(-c3cnc4cnc(C(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)c1cn2c(-c3cccc(Cl)n3)cnc2cn1
InChIInChI=1S/C20H22F4N6O2S.C12H7ClF2N4.CH4/c1-12-9-29(10-13(20(12,23)24)6-27-33(2,31)32)17-5-3-4-14(28-17)16-7-26-18-8-25-15(19(21)22)11-30(16)18;13-10-3-1-2-7(18-10)9-4-17-11-5-16-8(12(14)15)6-19(9)11;/h3-5,7-8,11-13,19,27H,6,9-10H2,1-2H3;1-6,12H;1H4/t12-,13+;;/m0../s1
InChIKeyBDJBUROELYKMAJ-CQSOCPNPSA-N
XLogP7.00
TPSA135.57 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500783.20
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane with MolForge

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Related Compounds

4-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70682715
N-(2-Chloro-5-(6-(pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyridin-3-yl)dimethylaminosulfonamide
CID 46913524
N-(2-Chloro-5-(6-(2-(trifluoromethyl)pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyridin-3-yl)dimethylaminosulfonamid
CID 46913525
N-(2-Chloro-5-(7-(pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl)pyridin-3-yl)methanesulfonamide
CID 46913526
N'-(2-Chloro-5-(7-(4-pyridinyl)imidazo[1,2-a]pyridin-3-yl)-3-pyridinyl)-N,N-dimethylsulfamide
CID 46913527
N'-(2-Chloro-5-(7-(3-pyridinyl)imidazo[1,2-a]pyridin-3-yl)-3-pyridinyl)-N,N-dimethylsulfamide
CID 46913617
N'-(2-Chloro-5-(7-methyl-6-(4-pyridinyl)imidazo[1,2-a]pyridin-3-yl)-3-pyridinyl)-N,N-dimethylsulfamide
CID 46913618
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 139344306
N-[5-(trifluoromethyl)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanesulfonamide
CID 139344496
N-[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 139344640
N-[[2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2-azabicyclo[2.2.2]octan-6-yl]methyl]methanesulfonamide
CID 139357082
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

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane?
The IUPAC name of 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane (CID 157313909) is 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane.
What is the SMILES notation for 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane?
The canonical SMILES for 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane is C.C[C@H]1CN(c2cccc(-c3cnc4cnc(C(F)F)cn34)n2)C[C@@H](CNS(C)(=O)=O)C1(F)F.FC(F)c1cn2c(-c3cccc(Cl)n3)cnc2cn1.
What is the InChIKey of 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane?
The InChIKey is BDJBUROELYKMAJ-CQSOCPNPSA-N. The full InChI is InChI=1S/C20H22F4N6O2S.C12H7ClF2N4.CH4/c1-12-9-29(10-13(20(12,23)24)6-27-33(2,31)32)17-5-3-4-14(28-17)16-7-26-18-8-25-15(19(21)22)11-30(16)18;13-10-3-1-2-7(18-10)9-4-17-11-5-16-8(12(14)15)6-19(9)11;/h3-5,7-8,11-13,19,27H,6,9-10H2,1-2H3;1-6,12H;1H4/t12-,13+;;/m0../s1.
What are the key properties of 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane?
3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane has a molecular weight of 783.20 g/mol, XLogP of 7.00, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-pyridinyl)-6-(difluoromethyl)imidazo[1,2-a]pyrazine;N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide;methane is sourced from PubChem (CID 157313909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).