2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile

C24H22N6O2 — CID 66760335

IUPAC2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C#N)cc34)cn2)CC1
InChIInChI=1S/C24H22N6O2/c1-15(31)29-8-6-18(7-9-29)30-14-17(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)19-5-3-2-4-16(19)11-25/h2-5,10,12-14,18H,6-9H2,1H3,(H2,26,27)
InChIKeyXCKISTZRDFIEIS-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.00
Rot. Bonds3

About 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile

2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile (PubChem CID 66760335) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile
PubChem CID66760335
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C#N)cc34)cn2)CC1
InChIInChI=1S/C24H22N6O2/c1-15(31)29-8-6-18(7-9-29)30-14-17(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)19-5-3-2-4-16(19)11-25/h2-5,10,12-14,18H,6-9H2,1H3,(H2,26,27)
InChIKeyXCKISTZRDFIEIS-UHFFFAOYSA-N
XLogP4.00
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile?
The IUPAC name of 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile (CID 66760335) is 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile?
The canonical SMILES for 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C#N)cc34)cn2)CC1.
What is the InChIKey of 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile?
The InChIKey is XCKISTZRDFIEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15(31)29-8-6-18(7-9-29)30-14-17(12-28-30)21-13-27-24(26)23-20(21)10-22(32-23)19-5-3-2-4-16(19)11-25/h2-5,10,12-14,18H,6-9H2,1H3,(H2,26,27).
What are the key properties of 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile?
2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile has a molecular weight of 426.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-acetylpiperidin-4-yl)pyrazol-4-yl]-7-aminofuro[2,3-c]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 66760335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).