4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

C24H28N6O2 — CID 155540693

IUPAC4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCOc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6O2/c1-31-21-14-19(16-26-17-21)22-15-23(28-24(27-22)18-2-6-25-7-3-18)30-8-4-20(5-9-30)29-10-12-32-13-11-29/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3
InChIKeyODNCAYFWDNMEOJ-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.91
Rot. Bonds5

About 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 155540693) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID155540693
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCOc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C24H28N6O2/c1-31-21-14-19(16-26-17-21)22-15-23(28-24(27-22)18-2-6-25-7-3-18)30-8-4-20(5-9-30)29-10-12-32-13-11-29/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3
InChIKeyODNCAYFWDNMEOJ-UHFFFAOYSA-N
XLogP2.91
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (CID 155540693) is 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is COc1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is ODNCAYFWDNMEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-31-21-14-19(16-26-17-21)22-15-23(28-24(27-22)18-2-6-25-7-3-18)30-8-4-20(5-9-30)29-10-12-32-13-11-29/h2-3,6-7,14-17,20H,4-5,8-13H2,1H3.
What are the key properties of 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 432.53 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(5-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 155540693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).