(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C24H26N6O3 — CID 110219767

IUPAC(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(O)c1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C24H26N6O3/c31-20-12-19(13-26-14-20)23(32)30-7-1-2-18(16-30)22-21(17-3-5-25-6-4-17)15-27-24(28-22)29-8-10-33-11-9-29/h3-6,12-15,18,31H,1-2,7-11,16H2
InChIKeyBHQLMZRRRRBPFL-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.50
Rot. Bonds4

About (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone

(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110219767) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110219767
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cncc(O)c1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1
InChIInChI=1S/C24H26N6O3/c31-20-12-19(13-26-14-20)23(32)30-7-1-2-18(16-30)22-21(17-3-5-25-6-4-17)15-27-24(28-22)29-8-10-33-11-9-29/h3-6,12-15,18,31H,1-2,7-11,16H2
InChIKeyBHQLMZRRRRBPFL-UHFFFAOYSA-N
XLogP2.50
TPSA104.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110219765
cyclohexyl-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110219759
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
cyclopropyl-[(3R)-3-(5-pyridin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590922
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
furan-2-yl-[3-[2-(4-methylpiperazin-1-yl)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952714
1-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51593591
3-methyl-1-[3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 110219740
pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
(4-fluorophenyl)-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965148
[(3R)-3-(2-piperidin-1-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95808369
ethyl 2-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 95799941

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110219767) is (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1cncc(O)c1)N1CCCC(c2nc(N3CCOCC3)ncc2-c2ccncc2)C1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is BHQLMZRRRRBPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-20-12-19(13-26-14-20)23(32)30-7-1-2-18(16-30)22-21(17-3-5-25-6-4-17)15-27-24(28-22)29-8-10-33-11-9-29/h3-6,12-15,18,31H,1-2,7-11,16H2.
What are the key properties of (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
(5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 446.51 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-[3-(2-morpholin-4-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110219767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).