2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile

C22H18N4O2 — CID 130442543

IUPAC2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile
SMILESCc1ncncc1-c1ccc(Oc2nccc3occc23)cc1C(C)(C)C#N
InChIInChI=1S/C22H18N4O2/c1-14-18(11-24-13-26-14)16-5-4-15(10-19(16)22(2,3)12-23)28-21-17-7-9-27-20(17)6-8-25-21/h4-11,13H,1-3H3
InChIKeyNGYKBGFOKYCKEB-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.19
Rot. Bonds4

About 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile

2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile (PubChem CID 130442543) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile
PubChem CID130442543
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile
SMILESCc1ncncc1-c1ccc(Oc2nccc3occc23)cc1C(C)(C)C#N
InChIInChI=1S/C22H18N4O2/c1-14-18(11-24-13-26-14)16-5-4-15(10-19(16)22(2,3)12-23)28-21-17-7-9-27-20(17)6-8-25-21/h4-11,13H,1-3H3
InChIKeyNGYKBGFOKYCKEB-UHFFFAOYSA-N
XLogP5.19
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methyl-1H-pyrazin-2-one
CID 130442523
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 130442520
3-bromo-6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-5-methylpyrazin-2-amine
CID 90134293
1-[5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-6-methylpyrimidin-4-yl]azetidin-3-ol
CID 130442517
4-[4-[4-(3-fluoroazetidin-1-yl)-6-methylpyrimidin-5-yl]-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442551
2-bromo-5-furo[3,2-c]pyridin-4-yloxyaniline
CID 90134289
5-furo[3,2-c]pyridin-4-yloxy-2-(3-methylpyrazin-2-yl)phenol;4-[3-methoxy-4-(3-methylpyrazin-2-yl)phenoxy]furo[3,2-c]pyridine;phosphane;tribromoborane
CID 162014865
4-[3-methoxy-4-(6-methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442472
3-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-2,4-dimethyl-2H-furan-5-one
CID 90134147
4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]furo[3,2-c]pyridine
CID 75201959
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1H-quinolin-2-one
CID 130442483

Frequently Asked Questions

What is the IUPAC name of 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile (CID 130442543) is 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile is Cc1ncncc1-c1ccc(Oc2nccc3occc23)cc1C(C)(C)C#N.
What is the InChIKey of 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile?
The InChIKey is NGYKBGFOKYCKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-18(11-24-13-26-14)16-5-4-15(10-19(16)22(2,3)12-23)28-21-17-7-9-27-20(17)6-8-25-21/h4-11,13H,1-3H3.
What are the key properties of 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile?
2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile has a molecular weight of 370.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-furo[3,2-c]pyridin-4-yloxy-2-(4-methylpyrimidin-5-yl)phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 130442543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).