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

C23H18F2N10O — CID 134456114

IUPAC6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C23H18F2N10O/c1-35-23(27-11-28-35)13-6-4-7-14(19(13)36-2)30-15-9-17(31-16-8-3-5-12(10-26)29-16)32-21-18(15)33-22(34-21)20(24)25/h3-9,11,20H,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyDXWGPFWPXHHXTI-UHFFFAOYSA-N
MW488.46 g/mol
LogP4.45
Rot. Bonds7

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

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134456114) has the molecular formula C23H18F2N10O and a molecular weight of 488.46 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134456114
Molecular FormulaC23H18F2N10O
Molecular Weight488.46 g/mol
Exact Mass488.16
IUPAC Name6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C23H18F2N10O/c1-35-23(27-11-28-35)13-6-4-7-14(19(13)36-2)30-15-9-17(31-16-8-3-5-12(10-26)29-16)32-21-18(15)33-22(34-21)20(24)25/h3-9,11,20H,1-2H3,(H3,29,30,31,32,33,34)
InChIKeyDXWGPFWPXHHXTI-UHFFFAOYSA-N
XLogP4.45
TPSA142.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134456114) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-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-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is DXWGPFWPXHHXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N10O/c1-35-23(27-11-28-35)13-6-4-7-14(19(13)36-2)30-15-9-17(31-16-8-3-5-12(10-26)29-16)32-21-18(15)33-22(34-21)20(24)25/h3-9,11,20H,1-2H3,(H3,29,30,31,32,33,34).
What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 488.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134456114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).