6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide

C22H20N8O2 — CID 138560441

IUPAC6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cn2)c2ncn(C)c2n1
InChIInChI=1S/C22H20N8O2/c1-13-7-15(9-23)24-11-17(13)32-19-8-16(20-21(28-19)30(4)12-26-20)27-18-6-5-14(10-25-18)22(31)29(2)3/h5-8,10-12H,1-4H3,(H,25,27,28)
InChIKeyVDAREBZGZZDSKX-UHFFFAOYSA-N
MW428.46 g/mol
LogP3.18
Rot. Bonds5

About 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 138560441) has the molecular formula C22H20N8O2 and a molecular weight of 428.46 g/mol. Its IUPAC name is 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID138560441
Molecular FormulaC22H20N8O2
Molecular Weight428.46 g/mol
Exact Mass428.17
IUPAC Name6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cn2)c2ncn(C)c2n1
InChIInChI=1S/C22H20N8O2/c1-13-7-15(9-23)24-11-17(13)32-19-8-16(20-21(28-19)30(4)12-26-20)27-18-6-5-14(10-25-18)22(31)29(2)3/h5-8,10-12H,1-4H3,(H,25,27,28)
InChIKeyVDAREBZGZZDSKX-UHFFFAOYSA-N
XLogP3.18
TPSA121.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 138560441) is 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cn2)c2ncn(C)c2n1.
What is the InChIKey of 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is VDAREBZGZZDSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O2/c1-13-7-15(9-23)24-11-17(13)32-19-8-16(20-21(28-19)30(4)12-26-20)27-18-6-5-14(10-25-18)22(31)29(2)3/h5-8,10-12H,1-4H3,(H,25,27,28).
What are the key properties of 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138560441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).