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

C40H45F4N11O5S — CID 158569277

IUPACN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCOCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C22H26F2N6O4S.C18H19F2N5O/c1-27-14-26-17-11-25-21(10-19(17)27)28(2)18-4-3-15(9-20(18)34-22(23)24)16-12-30(13-16)35(31,32)29-5-7-33-8-6-29;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/h3-4,9-11,14,16,22H,5-8,12-13H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyHRWNLWDPVXCMMD-UHFFFAOYSA-N
MW867.93 g/mol
LogP5.34
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-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158569277) has the molecular formula C40H45F4N11O5S and a molecular weight of 867.93 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-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID158569277
Molecular FormulaC40H45F4N11O5S
Molecular Weight867.93 g/mol
Exact Mass867.33
IUPAC NameN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCOCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C22H26F2N6O4S.C18H19F2N5O/c1-27-14-26-17-11-25-21(10-19(17)27)28(2)18-4-3-15(9-20(18)34-22(23)24)16-12-30(13-16)35(31,32)29-5-7-33-8-6-29;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/h3-4,9-11,14,16,22H,5-8,12-13H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyHRWNLWDPVXCMMD-UHFFFAOYSA-N
XLogP5.34
TPSA148.24 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.93
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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

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Related Compounds

4-[5-[4-[4-[5-(3-(difluoromethoxy)phenyl]-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-pyridyl]morpholine
CID 118413994
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
US10399974, Example 20
CID 118348963
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
7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
CID 20806026
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine
CID 59291201
1-[4-[4-[[4-Imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
CID 68591622
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-(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-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158569277) is N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCOCC3)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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is HRWNLWDPVXCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O4S.C18H19F2N5O/c1-27-14-26-17-11-25-21(10-19(17)27)28(2)18-4-3-15(9-20(18)34-22(23)24)16-12-30(13-16)35(31,32)29-5-7-33-8-6-29;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/h3-4,9-11,14,16,22H,5-8,12-13H2,1-2H3;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-morpholin-4-ylsulfonylazetidin-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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 867.93 g/mol, XLogP of 5.34, 12 rotatable bonds, 1 hydrogen bond donors, and 14 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-morpholin-4-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158569277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).