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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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).