1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

C21H22N4O3 — CID 128967255

IUPAC1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C21H22N4O3/c26-20(16-14-28-18-6-2-1-5-15(16)18)25-11-12-27-19(13-25)17-7-8-22-21(23-17)24-9-3-4-10-24/h1-2,5-8,14,19H,3-4,9-13H2
InChIKeyCJDZRHBXWMDSKF-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.04
Rot. Bonds3

About 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 128967255) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID128967255
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESO=C(c1coc2ccccc12)N1CCOC(c2ccnc(N3CCCC3)n2)C1
InChIInChI=1S/C21H22N4O3/c26-20(16-14-28-18-6-2-1-5-15(16)18)25-11-12-27-19(13-25)17-7-8-22-21(23-17)24-9-3-4-10-24/h1-2,5-8,14,19H,3-4,9-13H2
InChIKeyCJDZRHBXWMDSKF-UHFFFAOYSA-N
XLogP3.04
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129334104
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129338509
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
(1-methylindol-3-yl)-[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115890
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128990958
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
4-methyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]ethyl]-1,2,4-triazol-3-one
CID 128995763
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 128967255) is 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is O=C(c1coc2ccccc12)N1CCOC(c2ccnc(N3CCCC3)n2)C1.
What is the InChIKey of 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is CJDZRHBXWMDSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(16-14-28-18-6-2-1-5-15(16)18)25-11-12-27-19(13-25)17-7-8-22-21(23-17)24-9-3-4-10-24/h1-2,5-8,14,19H,3-4,9-13H2.
What are the key properties of 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 128967255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).