6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C24H18F2N8O2S2 — CID 134456035

IUPAC6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCC1=CN=C(S1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC5=CC=CC(=N5)C#N)S(=O)(=O)C
InChIInChI=1S/C24H18F2N8O2S2/c1-12-11-28-24(37-12)13-6-7-15(17(8-13)38(2,35)36)30-16-9-19(31-18-5-3-4-14(10-27)29-18)32-22-20(16)33-23(34-22)21(25)26/h3-9,11,21H,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyHBOPAVMFPBVFBQ-UHFFFAOYSA-N
MW552.60 g/mol
LogP5.00
Rot. Bonds7

About 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134456035) has the molecular formula C24H18F2N8O2S2 and a molecular weight of 552.60 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134456035
Molecular FormulaC24H18F2N8O2S2
Molecular Weight552.60 g/mol
Exact Mass552.10
IUPAC Name6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCC1=CN=C(S1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC5=CC=CC(=N5)C#N)S(=O)(=O)C
InChIInChI=1S/C24H18F2N8O2S2/c1-12-11-28-24(37-12)13-6-7-15(17(8-13)38(2,35)36)30-16-9-19(31-18-5-3-4-14(10-27)29-18)32-22-20(16)33-23(34-22)21(25)26/h3-9,11,21H,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyHBOPAVMFPBVFBQ-UHFFFAOYSA-N
XLogP5.00
TPSA186.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms38
Complexity978

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.60
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134456035) is 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CC1=CN=C(S1)C2=CC(=C(C=C2)NC3=CC(=NC4=C3NC(=N4)C(F)F)NC5=CC=CC(=N5)C#N)S(=O)(=O)C.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is HBOPAVMFPBVFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N8O2S2/c1-12-11-28-24(37-12)13-6-7-15(17(8-13)38(2,35)36)30-16-9-19(31-18-5-3-4-14(10-27)29-18)32-22-20(16)33-23(34-22)21(25)26/h3-9,11,21H,1-2H3,(H3,29,30,31,32,33,34).
What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 552.60 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134456035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).