N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide

C27H26F4N8O3S — CID 134456405

IUPACN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(C(F)F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C27H26F4N8O3S/c1-38(43(2,40)41)19-12-15(24(28)29)9-10-17(19)34-18-13-21(35-20-7-5-6-16(14-32)33-20)36-26-23(18)37-27(25(30)31)39(26)22-8-3-4-11-42-22/h5-7,9-10,12-13,22,24-25H,3-4,8,11H2,1-2H3,(H2,33,34,35,36)
InChIKeyQTGLCIASJNMYSJ-UHFFFAOYSA-N
MW618.62 g/mol
LogP6.16
Rot. Bonds9

About N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide

N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 134456405) has the molecular formula C27H26F4N8O3S and a molecular weight of 618.62 g/mol. Its IUPAC name is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID134456405
Molecular FormulaC27H26F4N8O3S
Molecular Weight618.62 g/mol
Exact Mass618.18
IUPAC NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(C(F)F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C27H26F4N8O3S/c1-38(43(2,40)41)19-12-15(24(28)29)9-10-17(19)34-18-13-21(35-20-7-5-6-16(14-32)33-20)36-26-23(18)37-27(25(30)31)39(26)22-8-3-4-11-42-22/h5-7,9-10,12-13,22,24-25H,3-4,8,11H2,1-2H3,(H2,33,34,35,36)
InChIKeyQTGLCIASJNMYSJ-UHFFFAOYSA-N
XLogP6.16
TPSA138.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.62
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (CID 134456405) is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is CN(c1cc(C(F)F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is QTGLCIASJNMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N8O3S/c1-38(43(2,40)41)19-12-15(24(28)29)9-10-17(19)34-18-13-21(35-20-7-5-6-16(14-32)33-20)36-26-23(18)37-27(25(30)31)39(26)22-8-3-4-11-42-22/h5-7,9-10,12-13,22,24-25H,3-4,8,11H2,1-2H3,(H2,33,34,35,36).
What are the key properties of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 618.62 g/mol, XLogP of 6.16, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134456405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).