[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C23H24N4O2 — CID 95553259

IUPAC[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C23H24N4O2/c28-23(20-15-25-22(26-16-20)19-9-11-24-12-10-19)27-13-14-29-21(17-27)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2/t21-/m0/s1
InChIKeyTYKHUZQDRKYBLH-NRFANRHFSA-N
MW388.47 g/mol
LogP3.40
Rot. Bonds6

About [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 95553259) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID95553259
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCO[C@@H](CCCc2ccccc2)C1
InChIInChI=1S/C23H24N4O2/c28-23(20-15-25-22(26-16-20)19-9-11-24-12-10-19)27-13-14-29-21(17-27)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2/t21-/m0/s1
InChIKeyTYKHUZQDRKYBLH-NRFANRHFSA-N
XLogP3.40
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-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

[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95558114
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 97305915
(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
(3-methylpyrazolidin-4-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 74778652
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 95553259) is [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccncc2)nc1)N1CCO[C@@H](CCCc2ccccc2)C1.
What is the InChIKey of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is TYKHUZQDRKYBLH-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(20-15-25-22(26-16-20)19-9-11-24-12-10-19)27-13-14-29-21(17-27)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-12,15-16,21H,4,7-8,13-14,17H2/t21-/m0/s1.
What are the key properties of [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 95553259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).