5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine

C24H32FN3O — CID 135322749

IUPAC5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine
SMILESCCOC[C@]1(CCc2ccc(F)cn2)CCN(C2(c3cnc(C)cc3C)CC2)C1
InChIInChI=1S/C24H32FN3O/c1-4-29-17-23(8-7-21-6-5-20(25)14-27-21)11-12-28(16-23)24(9-10-24)22-15-26-19(3)13-18(22)2/h5-6,13-15H,4,7-12,16-17H2,1-3H3/t23-/m1/s1
InChIKeyPTUATZCVLDAPAS-HSZRJFAPSA-N
MW397.54 g/mol
LogP4.58
Rot. Bonds8

About 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine

5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine (PubChem CID 135322749) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine.

Molecular Properties

Compound Name5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine
PubChem CID135322749
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine
SMILESCCOC[C@]1(CCc2ccc(F)cn2)CCN(C2(c3cnc(C)cc3C)CC2)C1
InChIInChI=1S/C24H32FN3O/c1-4-29-17-23(8-7-21-6-5-20(25)14-27-21)11-12-28(16-23)24(9-10-24)22-15-26-19(3)13-18(22)2/h5-6,13-15H,4,7-12,16-17H2,1-3H3/t23-/m1/s1
InChIKeyPTUATZCVLDAPAS-HSZRJFAPSA-N
XLogP4.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine?
The IUPAC name of 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine (CID 135322749) is 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine.
What is the SMILES notation for 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine?
The canonical SMILES for 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine is CCOC[C@]1(CCc2ccc(F)cn2)CCN(C2(c3cnc(C)cc3C)CC2)C1.
What is the InChIKey of 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine?
The InChIKey is PTUATZCVLDAPAS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H32FN3O/c1-4-29-17-23(8-7-21-6-5-20(25)14-27-21)11-12-28(16-23)24(9-10-24)22-15-26-19(3)13-18(22)2/h5-6,13-15H,4,7-12,16-17H2,1-3H3/t23-/m1/s1.
What are the key properties of 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine?
5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine has a molecular weight of 397.54 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2,4-dimethylpyridine is sourced from PubChem (CID 135322749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).