4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine

C26H25N5O2 — CID 163592421

IUPAC4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
SMILESC[C@H]1N=C(c2ncc(C3=CCc4ncc(N5CCOCC5)cc43)cn2)O[C@H]1c1ccccc1
InChIInChI=1S/C26H25N5O2/c1-17-24(18-5-3-2-4-6-18)33-26(30-17)25-28-14-19(15-29-25)21-7-8-23-22(21)13-20(16-27-23)31-9-11-32-12-10-31/h2-7,13-17,24H,8-12H2,1H3/t17-,24-/m1/s1
InChIKeyVIOITPNPLZZSGI-MZNJEOGPSA-N
MW439.52 g/mol
LogP3.60
Rot. Bonds4

About 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine

4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine (PubChem CID 163592421) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
PubChem CID163592421
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
SMILESC[C@H]1N=C(c2ncc(C3=CCc4ncc(N5CCOCC5)cc43)cn2)O[C@H]1c1ccccc1
InChIInChI=1S/C26H25N5O2/c1-17-24(18-5-3-2-4-6-18)33-26(30-17)25-28-14-19(15-29-25)21-7-8-23-22(21)13-20(16-27-23)31-9-11-32-12-10-31/h2-7,13-17,24H,8-12H2,1H3/t17-,24-/m1/s1
InChIKeyVIOITPNPLZZSGI-MZNJEOGPSA-N
XLogP3.60
TPSA72.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine with MolForge

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Related Compounds

[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 163491751
(1S)-1-(2-chlorophenyl)-N-[1-[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]ethenyl]ethanamine
CID 163607091
N-[1-(1-methylpyrrol-3-yl)ethyl]-5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidine-2-carboxamide
CID 163793096
4-[3-[2-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570398
4-[3-[2-(5-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 146570395
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
(4R,5R)-2-(4-tert-butylphenyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101150502
4-[4-[(2S,4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenyl]morpholine
CID 125027394
(2S,3R)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 38142951
4-(5-chloro-2-phenylpyrimidin-4-yl)morpholine
CID 121004493
2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylpyridin-3-amine
CID 59631416
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine?
The IUPAC name of 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine (CID 163592421) is 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine is C[C@H]1N=C(c2ncc(C3=CCc4ncc(N5CCOCC5)cc43)cn2)O[C@H]1c1ccccc1.
What is the InChIKey of 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine?
The InChIKey is VIOITPNPLZZSGI-MZNJEOGPSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17-24(18-5-3-2-4-6-18)33-26(30-17)25-28-14-19(15-29-25)21-7-8-23-22(21)13-20(16-27-23)31-9-11-32-12-10-31/h2-7,13-17,24H,8-12H2,1H3/t17-,24-/m1/s1.
What are the key properties of 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine?
4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine has a molecular weight of 439.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine is sourced from PubChem (CID 163592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).