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

C41H47F4N11O4S — CID 158526042

IUPACN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCCCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C23H28F2N6O3S.C18H19F2N5O/c1-28-15-27-18-12-26-22(11-20(18)28)29(2)19-7-6-16(10-21(19)34-23(24)25)17-13-31(14-17)35(32,33)30-8-4-3-5-9-30;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/h6-7,10-12,15,17,23H,3-5,8-9,13-14H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyHMUHZDJFOQMDIA-UHFFFAOYSA-N
MW865.96 g/mol
LogP6.49
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-piperidin-1-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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (PubChem CID 158526042) has the molecular formula C41H47F4N11O4S and a molecular weight of 865.96 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-piperidin-1-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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
PubChem CID158526042
Molecular FormulaC41H47F4N11O4S
Molecular Weight865.96 g/mol
Exact Mass865.35
IUPAC NameN-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
SMILESCN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCCCC3)C2)cc1OC(F)F.CN(c1cc2c(cn1)ncn2C)c1ccc(C2CNC2)cc1OC(F)F
InChIInChI=1S/C23H28F2N6O3S.C18H19F2N5O/c1-28-15-27-18-12-26-22(11-20(18)28)29(2)19-7-6-16(10-21(19)34-23(24)25)17-13-31(14-17)35(32,33)30-8-4-3-5-9-30;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/h6-7,10-12,15,17,23H,3-5,8-9,13-14H2,1-2H3;3-6,9-10,12,18,21H,7-8H2,1-2H3
InChIKeyHMUHZDJFOQMDIA-UHFFFAOYSA-N
XLogP6.49
TPSA139.01 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500865.96
LogP ≤ 56.49
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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
7-(3-methoxy-4-morpholin-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidin-5-amine
CID 20806026
2-(Difluoromethyl)-1-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolo[3,2-c]pyridine
CID 58110612
4-(12-Fluoro-8-methyl-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-2-methoxyaniline
CID 58354583
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-[2-methoxy-4-(oxan-4-yl)phenyl]pyrimidin-2-amine
CID 59291201
4-(12-Fluoro-4-pyridin-3-yl-8-sulfanyl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl)-2-methoxyaniline
CID 68302707
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
1-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperidin-1-yl]ethanone
CID 68592984
5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-piperidin-4-ylphenyl)pyrimidin-2-amine
CID 68593212

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-piperidin-1-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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine (CID 158526042) is N-[4-(azetidin-3-yl)-2-(difluoromethoxy)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-[2-(difluoromethoxy)-4-(1-piperidin-1-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-piperidin-1-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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is CN(c1cc2c(cn1)ncn2C)c1ccc(C2CN(S(=O)(=O)N3CCCCC3)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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is HMUHZDJFOQMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N6O3S.C18H19F2N5O/c1-28-15-27-18-12-26-22(11-20(18)28)29(2)19-7-6-16(10-21(19)34-23(24)25)17-13-31(14-17)35(32,33)30-8-4-3-5-9-30;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/h6-7,10-12,15,17,23H,3-5,8-9,13-14H2,1-2H3;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-piperidin-1-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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 865.96 g/mol, XLogP of 6.49, 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-piperidin-1-ylsulfonylazetidin-3-yl)phenyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 158526042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).