(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol

C15H14FN5O — CID 129447470

IUPAC(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H14FN5O/c16-10-3-1-2-9(4-10)12-5-11(22)6-21(12)15-13-14(18-7-17-13)19-8-20-15/h1-4,7-8,11-12,22H,5-6H2,(H,17,18,19,20)/t11-,12-/m1/s1
InChIKeyOCXWWBUQRLJLBA-VXGBXAGGSA-N
MW299.31 g/mol
LogP1.80
Rot. Bonds2

About (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol

(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol (PubChem CID 129447470) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
PubChem CID129447470
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncnc3nc[nH]c23)C1
InChIInChI=1S/C15H14FN5O/c16-10-3-1-2-9(4-10)12-5-11(22)6-21(12)15-13-14(18-7-17-13)19-8-20-15/h1-4,7-8,11-12,22H,5-6H2,(H,17,18,19,20)/t11-,12-/m1/s1
InChIKeyOCXWWBUQRLJLBA-VXGBXAGGSA-N
XLogP1.80
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-1-(7H-purin-6-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129381170
(3S,5S)-5-(2,5-difluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol
CID 129381401
(3S,5S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480535
(3R,5R)-5-(3-fluorophenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129447312
(3S,5S)-5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129480731
5-(3-fluorophenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 128970090
2-[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129448984
(3S,5R)-1-(5-chloro-2-pyridinyl)-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480765
(3R,5S)-5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 129480601
5-(3-fluorophenyl)-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 128975461
(3S,5S)-5-(3-fluorophenyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-ol
CID 125140969
4-[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 129349528

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol (CID 129447470) is (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol is O[C@@H]1C[C@H](c2cccc(F)c2)N(c2ncnc3nc[nH]c23)C1.
What is the InChIKey of (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol?
The InChIKey is OCXWWBUQRLJLBA-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-10-3-1-2-9(4-10)12-5-11(22)6-21(12)15-13-14(18-7-17-13)19-8-20-15/h1-4,7-8,11-12,22H,5-6H2,(H,17,18,19,20)/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol?
(3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol has a molecular weight of 299.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-(3-fluorophenyl)-1-(7H-purin-6-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129447470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).