5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile

C24H25N7O — CID 155543867

IUPAC5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H25N7O/c25-15-18-13-20(17-27-16-18)22-14-23(29-24(28-22)19-1-5-26-6-2-19)31-7-3-21(4-8-31)30-9-11-32-12-10-30/h1-2,5-6,13-14,16-17,21H,3-4,7-12H2
InChIKeyWWFPGPBKPFSRDJ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.77
Rot. Bonds4

About 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile

5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile (PubChem CID 155543867) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile
PubChem CID155543867
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H25N7O/c25-15-18-13-20(17-27-16-18)22-14-23(29-24(28-22)19-1-5-26-6-2-19)31-7-3-21(4-8-31)30-9-11-32-12-10-30/h1-2,5-6,13-14,16-17,21H,3-4,7-12H2
InChIKeyWWFPGPBKPFSRDJ-UHFFFAOYSA-N
XLogP2.77
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile (CID 155543867) is 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
The InChIKey is WWFPGPBKPFSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c25-15-18-13-20(17-27-16-18)22-14-23(29-24(28-22)19-1-5-26-6-2-19)31-7-3-21(4-8-31)30-9-11-32-12-10-30/h1-2,5-6,13-14,16-17,21H,3-4,7-12H2.
What are the key properties of 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile?
5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile has a molecular weight of 427.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155543867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).