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

C20H22ClF2N5O3S — CID 134455571

IUPACN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C20H22ClF2N5O3S/c1-27(32(2,29)30)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)28(19)16-9-5-6-10-31-16/h3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25)
InChIKeyFUCGYDRATDUVQY-UHFFFAOYSA-N
MW485.94 g/mol
LogP4.86
Rot. Bonds6

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

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455571) has the molecular formula C20H22ClF2N5O3S and a molecular weight of 485.94 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134455571
Molecular FormulaC20H22ClF2N5O3S
Molecular Weight485.94 g/mol
Exact Mass485.11
IUPAC NameN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O
InChIInChI=1S/C20H22ClF2N5O3S/c1-27(32(2,29)30)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)28(19)16-9-5-6-10-31-16/h3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25)
InChIKeyFUCGYDRATDUVQY-UHFFFAOYSA-N
XLogP4.86
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.94
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134455571) is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is FUCGYDRATDUVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClF2N5O3S/c1-27(32(2,29)30)14-8-4-3-7-12(14)24-13-11-15(21)25-19-17(13)26-20(18(22)23)28(19)16-9-5-6-10-31-16/h3-4,7-8,11,16,18H,5-6,9-10H2,1-2H3,(H,24,25).
What are the key properties of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 485.94 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).