N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

C37H38F6N10O4S — CID 158200871

IUPACN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)C(F)F)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C19H19F4N5O3S.C18H19F2N5O/c1-26-10-25-13-7-24-17(6-15(13)26)27(2)14-4-3-11(5-16(14)31-18(20)21)12-8-28(9-12)32(29,30)19(22)23;1-24-10-23-13-9-22-17(6-15(13)24)25(2)14-4-3-11(12-7-21-8-12)5-16(14)26-18(19)20/h3-7,10,12,18-19H,8-9H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyGAXMRKCYCSLOCY-UHFFFAOYSA-N
MW832.83 g/mol
LogP6.31
Rot. Bonds12

About N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine

N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158200871) has the molecular formula C37H38F6N10O4S and a molecular weight of 832.83 g/mol. Its IUPAC name is N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID158200871
Molecular FormulaC37H38F6N10O4S
Molecular Weight832.83 g/mol
Exact Mass832.27
IUPAC NameN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)C(F)F)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C19H19F4N5O3S.C18H19F2N5O/c1-26-10-25-13-7-24-17(6-15(13)26)27(2)14-4-3-11(5-16(14)31-18(20)21)12-8-28(9-12)32(29,30)19(22)23;1-24-10-23-13-9-22-17(6-15(13)24)25(2)14-4-3-11(12-7-21-8-12)5-16(14)26-18(19)20/h3-7,10,12,18-19H,8-9H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyGAXMRKCYCSLOCY-UHFFFAOYSA-N
XLogP6.31
TPSA135.77 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.83
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

N-[4-[4-[4-[5-[3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 118413877
6-[[2-(difluoromethyl)-7-[2-methoxy-4-(3-methylimidazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455809
US11253516, Example 5
CID 142497308
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456254
5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methoxy-4-(3-methylimidazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455414
N-{-4-[3-fluoro-6-(pyrid-3-yl)-9H-pyrrolo[2,3-b:5,4-c']dipyrid-4-yl]-2-methoxyphenyl}-methanesulfonamide
CID 44548670
4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-4-piperidin-4-ylphenyl)-5-methylpyrimidin-2-amine
CID 68592579
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 68593212
N-(2-(Difluoromethoxy)-4-(piperidin-4-yl)phenyl)-N,1-dimethyl-1H-imidazo[4,5-c]pyridin-6-amine
CID 86693676
N-(2-(Difluoromethoxy)-4-(1-(methylsulfonyl)piperidin-4-yl)phenyl)-N,1-dimethyl-1H-imidazo[4,5-c]pyridin-6-amine
CID 86693677
N-[2-[2-[4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
CID 87120040
N-[2-(difluoromethoxy)-4-[1-(2,2,2-trifluoroethyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 89739354

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158200871) is N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)C(F)F)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F.
What is the InChIKey of N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is GAXMRKCYCSLOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O3S.C18H19F2N5O/c1-26-10-25-13-7-24-17(6-15(13)26)27(2)14-4-3-11(5-16(14)31-18(20)21)12-8-28(9-12)32(29,30)19(22)23;1-24-10-23-13-9-22-17(6-15(13)24)25(2)14-4-3-11(12-7-21-8-12)5-16(14)26-18(19)20/h3-7,10,12,18-19H,8-9H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3.
What are the key properties of N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 832.83 g/mol, XLogP of 6.31, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-[1-(difluoromethylsulfonyl)azetidin-3-yl]phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158200871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).