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

C26H25ClF2N8O3S — CID 134455595

IUPACN-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C26H25ClF2N8O3S/c1-36(41(2,38)39)19-12-15(27)9-10-17(19)32-18-13-21(33-20-7-5-6-16(14-30)31-20)34-25-23(18)35-26(24(28)29)37(25)22-8-3-4-11-40-22/h5-7,9-10,12-13,22,24H,3-4,8,11H2,1-2H3,(H2,31,32,33,34)
InChIKeyIPVKIDXFYONFIV-UHFFFAOYSA-N
MW603.06 g/mol
LogP5.87
Rot. Bonds8

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

N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455595) has the molecular formula C26H25ClF2N8O3S and a molecular weight of 603.06 g/mol. Its IUPAC name is N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134455595
Molecular FormulaC26H25ClF2N8O3S
Molecular Weight603.06 g/mol
Exact Mass602.14
IUPAC NameN-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C26H25ClF2N8O3S/c1-36(41(2,38)39)19-12-15(27)9-10-17(19)32-18-13-21(33-20-7-5-6-16(14-30)31-20)34-25-23(18)35-26(24(28)29)37(25)22-8-3-4-11-40-22/h5-7,9-10,12-13,22,24H,3-4,8,11H2,1-2H3,(H2,31,32,33,34)
InChIKeyIPVKIDXFYONFIV-UHFFFAOYSA-N
XLogP5.87
TPSA138.06 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.06
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134455595) is N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is CN(c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O.
What is the InChIKey of N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is IPVKIDXFYONFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N8O3S/c1-36(41(2,38)39)19-12-15(27)9-10-17(19)32-18-13-21(33-20-7-5-6-16(14-30)31-20)34-25-23(18)35-26(24(28)29)37(25)22-8-3-4-11-40-22/h5-7,9-10,12-13,22,24H,3-4,8,11H2,1-2H3,(H2,31,32,33,34).
What are the key properties of N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 603.06 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).