4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one

C22H22N6O3 — CID 175342176

IUPAC4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(-c3cccnc3)n2)cn1
InChIInChI=1S/C22H22N6O3/c29-17-5-7-27(13-17)20-10-18(25-22(26-20)16-2-1-6-23-11-16)15-3-4-19(24-12-15)28-8-9-31-14-21(28)30/h1-4,6,10-12,17,29H,5,7-9,13-14H2
InChIKeyLYKDVCGTSRSGOB-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.53
Rot. Bonds4

About 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one

4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one (PubChem CID 175342176) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one
PubChem CID175342176
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(-c3cccnc3)n2)cn1
InChIInChI=1S/C22H22N6O3/c29-17-5-7-27(13-17)20-10-18(25-22(26-20)16-2-1-6-23-11-16)15-3-4-19(24-12-15)28-8-9-31-14-21(28)30/h1-4,6,10-12,17,29H,5,7-9,13-14H2
InChIKeyLYKDVCGTSRSGOB-UHFFFAOYSA-N
XLogP1.53
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one?
The IUPAC name of 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one (CID 175342176) is 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one?
The canonical SMILES for 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one is O=C1COCCN1c1ccc(-c2cc(N3CCC(O)C3)nc(-c3cccnc3)n2)cn1.
What is the InChIKey of 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one?
The InChIKey is LYKDVCGTSRSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c29-17-5-7-27(13-17)20-10-18(25-22(26-20)16-2-1-6-23-11-16)15-3-4-19(24-12-15)28-8-9-31-14-21(28)30/h1-4,6,10-12,17,29H,5,7-9,13-14H2.
What are the key properties of 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one?
4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one has a molecular weight of 418.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(3-hydroxypyrrolidin-1-yl)-2-pyridin-3-ylpyrimidin-4-yl]-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 175342176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).