4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol

C23H26N6O2 — CID 155564494

IUPAC4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol
SMILESOc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C23H26N6O2/c30-21-16-25-7-3-19(21)23-26-20(17-2-1-6-24-15-17)14-22(27-23)29-8-4-18(5-9-29)28-10-12-31-13-11-28/h1-3,6-7,14-16,18,30H,4-5,8-13H2
InChIKeyLWKRXLZYFDWEKT-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.61
Rot. Bonds4

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

4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol (PubChem CID 155564494) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol
PubChem CID155564494
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol
SMILESOc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C23H26N6O2/c30-21-16-25-7-3-19(21)23-26-20(17-2-1-6-24-15-17)14-22(27-23)29-8-4-18(5-9-29)28-10-12-31-13-11-28/h1-3,6-7,14-16,18,30H,4-5,8-13H2
InChIKeyLWKRXLZYFDWEKT-UHFFFAOYSA-N
XLogP2.61
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol?
The IUPAC name of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol (CID 155564494) is 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol.
What is the SMILES notation for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol?
The canonical SMILES for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol is Oc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol?
The InChIKey is LWKRXLZYFDWEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-21-16-25-7-3-19(21)23-26-20(17-2-1-6-24-15-17)14-22(27-23)29-8-4-18(5-9-29)28-10-12-31-13-11-28/h1-3,6-7,14-16,18,30H,4-5,8-13H2.
What are the key properties of 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol?
4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol has a molecular weight of 418.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-morpholin-4-ylpiperidin-1-yl)-6-pyridin-3-ylpyrimidin-2-yl]pyridin-3-ol is sourced from PubChem (CID 155564494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).