N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C57H61F6N15O4S — CID 157309211

IUPACN-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(C(=O)OC(C)(C)C)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(S(C)(=O)=O)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CNC2)cc1F
InChIInChI=1S/C22H25F2N5O2.C18H19F2N5O2S.C17H17F2N5/c1-22(2,3)31-21(30)29-10-14(11-29)13-6-15(23)20(16(24)7-13)28(5)19-8-18-17(9-25-19)26-12-27(18)4;1-23-10-22-15-7-21-17(6-16(15)23)24(2)18-13(19)4-11(5-14(18)20)12-8-25(9-12)28(3,26)27;1-23-9-22-14-8-21-16(5-15(14)23)24(2)17-12(18)3-10(4-13(17)19)11-6-20-7-11/h6-9,12,14H,10-11H2,1-5H3;4-7,10,12H,8-9H2,1-3H3;3-5,8-9,11,20H,6-7H2,1-2H3
InChIKeyBCVNUBGLVUVPAD-UHFFFAOYSA-N
MW1166.27 g/mol
LogP9.42
Rot. Bonds10

About N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 157309211) has the molecular formula C57H61F6N15O4S and a molecular weight of 1166.27 g/mol. Its IUPAC name is N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID157309211
Molecular FormulaC57H61F6N15O4S
Molecular Weight1166.27 g/mol
Exact Mass1165.47
IUPAC NameN-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(C(=O)OC(C)(C)C)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(S(C)(=O)=O)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CNC2)cc1F
InChIInChI=1S/C22H25F2N5O2.C18H19F2N5O2S.C17H17F2N5/c1-22(2,3)31-21(30)29-10-14(11-29)13-6-15(23)20(16(24)7-13)28(5)19-8-18-17(9-25-19)26-12-27(18)4;1-23-10-22-15-7-21-17(6-16(15)23)24(2)18-13(19)4-11(5-14(18)20)12-8-25(9-12)28(3,26)27;1-23-9-22-14-8-21-16(5-15(14)23)24(2)17-12(18)3-10(4-13(17)19)11-6-20-7-11/h6-9,12,14H,10-11H2,1-5H3;4-7,10,12H,8-9H2,1-3H3;3-5,8-9,11,20H,6-7H2,1-2H3
InChIKeyBCVNUBGLVUVPAD-UHFFFAOYSA-N
XLogP9.42
TPSA180.80 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.27
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
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N-[6-[1-(difluoromethylsulfonyl)azetidin-3-yl]-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 86693719
tert-butyl 3-(4-fluoro-3-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 176576432
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CID 164545695
tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 3-(2-cyano-4-pyridinyl)azetidine-1-carboxylate
CID 156819069
tert-butyl 3-(5-ethyl-3-pyridinyl)azetidine-1-carboxylate
CID 140928431
tert-butyl 3-[2-(aminomethyl)-1H-imidazol-5-yl]azetidine-1-carboxylate
CID 163403835
tert-butyl 3-[(3-fluoropyrazin-2-yl)-hydroxymethyl]azetidine-1-carboxylate
CID 168824705
tert-butyl 3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]azetidine-1-carboxylate
CID 172645418
N-(azetidin-3-yl)-4-methylpyridin-2-amine;tert-butyl 3-[(4-methyl-2-pyridinyl)amino]azetidine-1-carboxylate
CID 157219072
tert-butyl 3-[methyl(pyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 71647115

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 157309211) is N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(C(=O)OC(C)(C)C)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CN(S(C)(=O)=O)C2)cc1F.CN(c1cc2c(cn1)ncn2C)c1c(F)cc(C2CNC2)cc1F.
What is the InChIKey of N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is BCVNUBGLVUVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O2.C18H19F2N5O2S.C17H17F2N5/c1-22(2,3)31-21(30)29-10-14(11-29)13-6-15(23)20(16(24)7-13)28(5)19-8-18-17(9-25-19)26-12-27(18)4;1-23-10-22-15-7-21-17(6-16(15)23)24(2)18-13(19)4-11(5-14(18)20)12-8-25(9-12)28(3,26)27;1-23-9-22-14-8-21-16(5-15(14)23)24(2)17-12(18)3-10(4-13(17)19)11-6-20-7-11/h6-9,12,14H,10-11H2,1-5H3;4-7,10,12H,8-9H2,1-3H3;3-5,8-9,11,20H,6-7H2,1-2H3.
What are the key properties of N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 1166.27 g/mol, XLogP of 9.42, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yl)-2,6-difluorophenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;tert-butyl 3-[3,5-difluoro-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]azetidine-1-carboxylate;N-[2,6-difluoro-4-(1-methylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 157309211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).