4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine

C27H33N7O2 — CID 155563414

IUPAC4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine
SMILESc1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCC(N4CCOCC4)CC3)n2)ccn1
InChIInChI=1S/C27H33N7O2/c1-2-25(34-13-17-36-18-14-34)29-20-22(1)24-19-26(31-27(30-24)21-3-7-28-8-4-21)33-9-5-23(6-10-33)32-11-15-35-16-12-32/h1-4,7-8,19-20,23H,5-6,9-18H2
InChIKeyDOOGYQCPRZHACX-UHFFFAOYSA-N
MW487.61 g/mol
LogP2.74
Rot. Bonds5

About 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine

4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine (PubChem CID 155563414) has the molecular formula C27H33N7O2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine
PubChem CID155563414
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine
SMILESc1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCC(N4CCOCC4)CC3)n2)ccn1
InChIInChI=1S/C27H33N7O2/c1-2-25(34-13-17-36-18-14-34)29-20-22(1)24-19-26(31-27(30-24)21-3-7-28-8-4-21)33-9-5-23(6-10-33)32-11-15-35-16-12-32/h1-4,7-8,19-20,23H,5-6,9-18H2
InChIKeyDOOGYQCPRZHACX-UHFFFAOYSA-N
XLogP2.74
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine (CID 155563414) is 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine is c1cc(-c2nc(-c3ccc(N4CCOCC4)nc3)cc(N3CCC(N4CCOCC4)CC3)n2)ccn1.
What is the InChIKey of 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine?
The InChIKey is DOOGYQCPRZHACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-2-25(34-13-17-36-18-14-34)29-20-22(1)24-19-26(31-27(30-24)21-3-7-28-8-4-21)33-9-5-23(6-10-33)32-11-15-35-16-12-32/h1-4,7-8,19-20,23H,5-6,9-18H2.
What are the key properties of 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine?
4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine has a molecular weight of 487.61 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(4-morpholin-4-ylpiperidin-1-yl)-2-pyridin-4-ylpyrimidin-4-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 155563414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).