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

C23H21N7O2 — CID 138560217

IUPAC4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1
InChIInChI=1S/C23H21N7O2/c1-14-9-17(11-24)25-12-19(14)32-20-10-18(21-22(28-20)30(4)13-26-21)27-16-7-5-15(6-8-16)23(31)29(2)3/h5-10,12-13H,1-4H3,(H,27,28)
InChIKeyJSXMCTHHLSRIHH-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.78
Rot. Bonds5

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

4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide (PubChem CID 138560217) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide
PubChem CID138560217
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide
SMILESCc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1
InChIInChI=1S/C23H21N7O2/c1-14-9-17(11-24)25-12-19(14)32-20-10-18(21-22(28-20)30(4)13-26-21)27-16-7-5-15(6-8-16)23(31)29(2)3/h5-10,12-13H,1-4H3,(H,27,28)
InChIKeyJSXMCTHHLSRIHH-UHFFFAOYSA-N
XLogP3.78
TPSA108.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide (CID 138560217) is 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide is Cc1cc(C#N)ncc1Oc1cc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1.
What is the InChIKey of 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is JSXMCTHHLSRIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-9-17(11-24)25-12-19(14)32-20-10-18(21-22(28-20)30(4)13-26-21)27-16-7-5-15(6-8-16)23(31)29(2)3/h5-10,12-13H,1-4H3,(H,27,28).
What are the key properties of 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide?
4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 427.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(6-cyano-4-methyl-3-pyridinyl)oxy]-3-methylimidazo[4,5-b]pyridin-7-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 138560217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).