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

C19H20ClF2N5O3S — CID 134456709

IUPACN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H20ClF2N5O3S/c1-31(28,29)26-12-7-3-2-6-11(12)23-13-10-14(20)24-18-16(13)25-19(17(21)22)27(18)15-8-4-5-9-30-15/h2-3,6-7,10,15,17,26H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyGUKAYQBASXDTNG-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.84
Rot. Bonds6

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

N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide (PubChem CID 134456709) has the molecular formula C19H20ClF2N5O3S and a molecular weight of 471.92 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]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
PubChem CID134456709
Molecular FormulaC19H20ClF2N5O3S
Molecular Weight471.92 g/mol
Exact Mass471.09
IUPAC NameN-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1
InChIInChI=1S/C19H20ClF2N5O3S/c1-31(28,29)26-12-7-3-2-6-11(12)23-13-10-14(20)24-18-16(13)25-19(17(21)22)27(18)15-8-4-5-9-30-15/h2-3,6-7,10,15,17,26H,4-5,8-9H2,1H3,(H,23,24)
InChIKeyGUKAYQBASXDTNG-UHFFFAOYSA-N
XLogP4.84
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455640
N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide
CID 134455758
3-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzonitrile
CID 134456295
5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455851
N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 134455812
5-chloro-2-(difluoromethyl)-N-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455560
2-(difluoromethyl)-5-N-(6-ethynyl-2-pyridinyl)-7-N-(2-methylsulfonylphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456794
N-(4-chloro-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-[(6-methylpyridazin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 160821737
N-(difluoromethyl)-N-[2-[[2-(difluoromethyl)-5-[(6-isocyano-2-pyridinyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
CID 158730728
N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 159748832
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456072
5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
CID 158156461

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]methanesulfonamide?
The IUPAC name of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide (CID 134456709) is N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide.
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]methanesulfonamide?
The canonical SMILES for N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.
What is the InChIKey of N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide?
The InChIKey is GUKAYQBASXDTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N5O3S/c1-31(28,29)26-12-7-3-2-6-11(12)23-13-10-14(20)24-18-16(13)25-19(17(21)22)27(18)15-8-4-5-9-30-15/h2-3,6-7,10,15,17,26H,4-5,8-9H2,1H3,(H,23,24).
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]methanesulfonamide?
N-[2-[[5-chloro-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide has a molecular weight of 471.92 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 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]methanesulfonamide is sourced from PubChem (CID 134456709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).