[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C22H25N5O2 — CID 92563663

IUPAC[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C22H25N5O2/c1-13(2)18-10-20(29-26-18)22(28)27-9-5-6-19(27)21-17(12-24-15(4)25-21)16-7-8-23-11-14(16)3/h7-8,10-13,19H,5-6,9H2,1-4H3/t19-/m1/s1
InChIKeyBAHNEPJHMDUYTP-LJQANCHMSA-N
MW391.48 g/mol
LogP4.24
Rot. Bonds4

About [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 92563663) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID92563663
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1
InChIInChI=1S/C22H25N5O2/c1-13(2)18-10-20(29-26-18)22(28)27-9-5-6-19(27)21-17(12-24-15(4)25-21)16-7-8-23-11-14(16)3/h7-8,10-13,19H,5-6,9H2,1-4H3/t19-/m1/s1
InChIKeyBAHNEPJHMDUYTP-LJQANCHMSA-N
XLogP4.24
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Related Compounds

[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554817
[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 92554818
1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218145
(3-tert-butyl-1-methylpyrazol-5-yl)-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218280
(3-tert-butyl-1-methylpyrazol-5-yl)-[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92563577
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
(2-ethoxy-3-pyridinyl)-[(2S)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92593239
(3,5-dimethyl-1,2-oxazol-4-yl)-[(2S)-2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 95850378
2-(2,6-dimethoxyphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218157
3-(4-ethoxyphenyl)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110218288
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[5-(3-methyl-4-pyridinyl)-2-propylpyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 110218142
2-(2-ethoxy-4-methylphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218153

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 92563663) is [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is Cc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cc(C(C)C)no2)n1.
What is the InChIKey of [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is BAHNEPJHMDUYTP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13(2)18-10-20(29-26-18)22(28)27-9-5-6-19(27)21-17(12-24-15(4)25-21)16-7-8-23-11-14(16)3/h7-8,10-13,19H,5-6,9H2,1-4H3/t19-/m1/s1.
What are the key properties of [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 391.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 92563663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).