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

C23H29FN2O3 — CID 158599945

IUPAC(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1cnc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(F)c1
InChIInChI=1S/C23H29FN2O3/c1-4-11-28-21-13-22(24)23(25-14-21)26-10-9-20(15-26)29-19-7-5-18(6-8-19)16(2)12-17(3)27/h5-8,13-14,16,20H,4,9-12,15H2,1-3H3/t16-,20?/m1/s1
InChIKeyHVMWWMYRZQYWIW-QRIPLOBPSA-N
MW400.49 g/mol
LogP4.75
Rot. Bonds9

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

(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (PubChem CID 158599945) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.

Molecular Properties

Compound Name(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
PubChem CID158599945
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
SMILESCCCOc1cnc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(F)c1
InChIInChI=1S/C23H29FN2O3/c1-4-11-28-21-13-22(24)23(25-14-21)26-10-9-20(15-26)29-19-7-5-18(6-8-19)16(2)12-17(3)27/h5-8,13-14,16,20H,4,9-12,15H2,1-3H3/t16-,20?/m1/s1
InChIKeyHVMWWMYRZQYWIW-QRIPLOBPSA-N
XLogP4.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The IUPAC name of (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one (CID 158599945) is (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one.
What is the SMILES notation for (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The canonical SMILES for (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is CCCOc1cnc(N2CCC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c(F)c1.
What is the InChIKey of (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
The InChIKey is HVMWWMYRZQYWIW-QRIPLOBPSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-4-11-28-21-13-22(24)23(25-14-21)26-10-9-20(15-26)29-19-7-5-18(6-8-19)16(2)12-17(3)27/h5-8,13-14,16,20H,4,9-12,15H2,1-3H3/t16-,20?/m1/s1.
What are the key properties of (4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one?
(4R)-4-[4-[1-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one has a molecular weight of 400.49 g/mol, XLogP of 4.75, 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-(3-fluoro-5-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one is sourced from PubChem (CID 158599945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).