4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide

C26H28N6O2 — CID 171537632

IUPAC4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
SMILESCCc1cc(-c2cc(Oc3cnc4c(C)nn(C)c4c3)ccn2)ccc1C(=O)NC1CN(C)C1
InChIInChI=1S/C26H28N6O2/c1-5-17-10-18(6-7-22(17)26(33)29-19-14-31(3)15-19)23-11-20(8-9-27-23)34-21-12-24-25(28-13-21)16(2)30-32(24)4/h6-13,19H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyOJCODJXBVFMXMT-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.74
Rot. Bonds6

About 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide

4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide (PubChem CID 171537632) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide.

Molecular Properties

Compound Name4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
PubChem CID171537632
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
SMILESCCc1cc(-c2cc(Oc3cnc4c(C)nn(C)c4c3)ccn2)ccc1C(=O)NC1CN(C)C1
InChIInChI=1S/C26H28N6O2/c1-5-17-10-18(6-7-22(17)26(33)29-19-14-31(3)15-19)23-11-20(8-9-27-23)34-21-12-24-25(28-13-21)16(2)30-32(24)4/h6-13,19H,5,14-15H2,1-4H3,(H,29,33)
InChIKeyOJCODJXBVFMXMT-UHFFFAOYSA-N
XLogP3.74
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 171537621
2-ethyl-N-(1-ethylazetidin-3-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537648
2-ethyl-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]-N-(oxan-4-yl)benzamide
CID 174252687
N-(azetidin-3-yl)-4-[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]-2-ethylbenzamide
CID 171537861
4-[4-[(5-chloro-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-ethyl-N-piperidin-4-ylbenzamide
CID 174279392
2-ethyl-N-(5-methyl-5-azaspiro[2.3]hexan-2-yl)-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 171537472
2-ethyl-N-[(3R,4S)-3-fluoropiperidin-4-yl]-4-[4-(1-methylindazol-6-yl)oxy-2-pyridinyl]benzamide
CID 174252114
N-[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylbenzamide
CID 171537576
4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methyl-N-[(1S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide;ethane;molecular hydrogen
CID 171537751
N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide
CID 171537653
2-ethyl-N-(1-ethylpyrrolidin-3-yl)-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 174247797
N-[(2S,3S)-1,2-dimethylazetidin-3-yl]-2-ethyl-4-[4-[4-methanimidoyl-3-(methylamino)phenoxy]-2-pyridinyl]benzamide
CID 171537423

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide?
The IUPAC name of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide (CID 171537632) is 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide.
What is the SMILES notation for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide?
The canonical SMILES for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide is CCc1cc(-c2cc(Oc3cnc4c(C)nn(C)c4c3)ccn2)ccc1C(=O)NC1CN(C)C1.
What is the InChIKey of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide?
The InChIKey is OJCODJXBVFMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-5-17-10-18(6-7-22(17)26(33)29-19-14-31(3)15-19)23-11-20(8-9-27-23)34-21-12-24-25(28-13-21)16(2)30-32(24)4/h6-13,19H,5,14-15H2,1-4H3,(H,29,33).
What are the key properties of 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide?
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide has a molecular weight of 456.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide is sourced from PubChem (CID 171537632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).