(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one

C21H27N3O3 — CID 158443898

IUPAC(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1
InChIInChI=1S/C21H27N3O3/c1-4-26-20-12-22-21(23-13-20)24-10-9-19(14-24)27-18-7-5-17(6-8-18)15(2)11-16(3)25/h5-8,12-13,15,19H,4,9-11,14H2,1-3H3/t15-,19-/m1/s1
InChIKeyHDDODBFYJVISSQ-DNVCBOLYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds8

About (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one

(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 158443898) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID158443898
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1
InChIInChI=1S/C21H27N3O3/c1-4-26-20-12-22-21(23-13-20)24-10-9-19(14-24)27-18-7-5-17(6-8-18)15(2)11-16(3)25/h5-8,12-13,15,19H,4,9-11,14H2,1-3H3/t15-,19-/m1/s1
InChIKeyHDDODBFYJVISSQ-DNVCBOLYSA-N
XLogP3.62
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[4-[1-[5-(2-cyclopropylethoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 149470737
(4R)-4-[4-[1-(6-methylsulfanyl-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 161006415
(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158599945
(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 157334363
(4R)-4-[4-[(3R)-1-[2-[ethyl(propan-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158709776
(4R)-4-[4-[(3R)-1-[5-chloro-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)pyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 159407633
(4R)-4-[4-[(3R)-1-[2-(3,3-difluoropyrrolidin-1-yl)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158160374
(4R)-4-[4-[1-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 162170036
(4R)-4-[4-[(3R)-1-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158568488
(4R)-4-[4-[1-[3-(difluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158548981
(4R)-4-[4-[(3R)-1-[6-(3-methylmorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 148982316
4-[4-[1-[2-(ethylamino)pyrimidin-5-yl]azetidin-3-yl]oxyphenyl]pentan-2-one
CID 158419008

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (CID 158443898) is (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is CCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)CC(C)=O)cc3)C2)nc1.
What is the InChIKey of (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is HDDODBFYJVISSQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-26-20-12-22-21(23-13-20)24-10-9-19(14-24)27-18-7-5-17(6-8-18)15(2)11-16(3)25/h5-8,12-13,15,19H,4,9-11,14H2,1-3H3/t15-,19-/m1/s1.
What are the key properties of (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 369.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 158443898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).