(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C23H27N7O3 — CID 92588461

IUPAC(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nc(N2CCOCC2)ncc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C23H27N7O3/c1-2-19-18(14-25-23(26-19)29-9-11-32-12-10-29)22(31)30-8-4-6-17(15-30)21-27-20(28-33-21)16-5-3-7-24-13-16/h3,5,7,13-14,17H,2,4,6,8-12,15H2,1H3/t17-/m0/s1
InChIKeyZARVUFHHEJQVBW-KRWDZBQOSA-N
MW449.52 g/mol
LogP2.34
Rot. Bonds5

About (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 92588461) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID92588461
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1nc(N2CCOCC2)ncc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C23H27N7O3/c1-2-19-18(14-25-23(26-19)29-9-11-32-12-10-29)22(31)30-8-4-6-17(15-30)21-27-20(28-33-21)16-5-3-7-24-13-16/h3,5,7,13-14,17H,2,4,6,8-12,15H2,1H3/t17-/m0/s1
InChIKeyZARVUFHHEJQVBW-KRWDZBQOSA-N
XLogP2.34
TPSA110.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51593591
(4-methylphenyl)-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 92556400
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
(1-methylindol-6-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97198977
3-methyl-1-[3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 110219740
ethyl 2-[(3S)-3-(2-morpholin-4-yl-5-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoacetate
CID 95799941
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 131940354
N-[2-[2-morpholin-4-yl-5-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]ethyl]pyridine-3-carboxamide
CID 95816321
pyridin-4-yl-[3-(5-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46960056
4-[2-oxo-2-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-2H-phthalazin-1-one
CID 95803861
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 11166491
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 92588461) is (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is CCc1nc(N2CCOCC2)ncc1C(=O)N1CCC[C@H](c2nc(-c3cccnc3)no2)C1.
What is the InChIKey of (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZARVUFHHEJQVBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-2-19-18(14-25-23(26-19)29-9-11-32-12-10-29)22(31)30-8-4-6-17(15-30)21-27-20(28-33-21)16-5-3-7-24-13-16/h3,5,7,13-14,17H,2,4,6,8-12,15H2,1H3/t17-/m0/s1.
What are the key properties of (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 449.52 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92588461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).