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

C24H32N2O3 — CID 157334363

IUPAC(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1cc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(C)cn1
InChIInChI=1S/C24H32N2O3/c1-5-12-28-24-14-23(18(3)15-25-24)26-11-10-22(16-26)29-21-8-6-20(7-9-21)17(2)13-19(4)27/h6-9,14-15,17,22H,5,10-13,16H2,1-4H3/t17-,22?/m1/s1
InChIKeyBFQVQGQDUUQIHQ-PLEWWHCXSA-N
MW396.53 g/mol
LogP4.92
Rot. Bonds9

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

(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 157334363) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID157334363
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1cc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(C)cn1
InChIInChI=1S/C24H32N2O3/c1-5-12-28-24-14-23(18(3)15-25-24)26-11-10-22(16-26)29-21-8-6-20(7-9-21)17(2)13-19(4)27/h6-9,14-15,17,22H,5,10-13,16H2,1-4H3/t17-,22?/m1/s1
InChIKeyBFQVQGQDUUQIHQ-PLEWWHCXSA-N
XLogP4.92
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one with MolForge

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Related Compounds

3-[3-[4-[(2R)-4-oxopentan-2-yl]phenoxy]pyrrolidin-1-yl]-6-propoxypyridine-2-carbonitrile
CID 161374342
(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158599945
(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158443898
(4R)-4-[4-[1-(6-methylsulfanyl-3-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 161006415
(4R)-4-[4-[1-[2-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 153169982
(4R)-4-[4-[1-[5-(2-cyclopropylethoxy)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 149470737
(4R)-4-[4-[(3R)-1-[3-methoxy-2-[methyl(propyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 160914417
1-(4-cyclopropyloxy-2-methylphenyl)-3-[4-[(2R)-4-methylpent-4-en-2-yl]phenoxy]pyrrolidine
CID 161083204
(4R)-4-[4-[1-(2-propoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]pentan-2-one
CID 148584743
(4R)-4-[4-[1-[3-(difluoromethyl)phenyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158548981
(4R)-4-[4-[(3R)-1-[3-chloro-2-[(2-hydroxy-2-methylpropyl)amino]-4-pyridinyl]pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 157461994
N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123315085

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (CID 157334363) is (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is CCCOc1cc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(C)cn1.
What is the InChIKey of (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is BFQVQGQDUUQIHQ-PLEWWHCXSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-12-28-24-14-23(18(3)15-25-24)26-11-10-22(16-26)29-21-8-6-20(7-9-21)17(2)13-19(4)27/h6-9,14-15,17,22H,5,10-13,16H2,1-4H3/t17-,22?/m1/s1.
What are the key properties of (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
(4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 396.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-[1-(5-methyl-2-propoxy-4-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 157334363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).