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

C24H20N8OS — CID 134455556

IUPAC6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1
InChIInChI=1S/C24H20N8OS/c1-13-12-34-24(26-13)16-7-5-8-17(22(16)33-3)30-18-10-20(32-23-21(18)27-14(2)28-23)31-19-9-4-6-15(11-25)29-19/h4-10,12H,1-3H3,(H3,27,28,29,30,31,32)
InChIKeyKZWNHNJGOIKEOB-UHFFFAOYSA-N
MW468.55 g/mol
LogP5.46
Rot. Bonds6

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

6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455556) has the molecular formula C24H20N8OS and a molecular weight of 468.55 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455556
Molecular FormulaC24H20N8OS
Molecular Weight468.55 g/mol
Exact Mass468.15
IUPAC Name6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCOc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1
InChIInChI=1S/C24H20N8OS/c1-13-12-34-24(26-13)16-7-5-8-17(22(16)33-3)30-18-10-20(32-23-21(18)27-14(2)28-23)31-19-9-4-6-15(11-25)29-19/h4-10,12H,1-3H3,(H3,27,28,29,30,31,32)
InChIKeyKZWNHNJGOIKEOB-UHFFFAOYSA-N
XLogP5.46
TPSA124.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.55
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-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-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455556) is 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COc1c(Nc2cc(Nc3cccc(C#N)n3)nc3nc(C)[nH]c23)cccc1-c1nc(C)cs1.
What is the InChIKey of 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is KZWNHNJGOIKEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8OS/c1-13-12-34-24(26-13)16-7-5-8-17(22(16)33-3)30-18-10-20(32-23-21(18)27-14(2)28-23)31-19-9-4-6-15(11-25)29-19/h4-10,12H,1-3H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 468.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).