(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

C19H19N3O2 — CID 129482038

IUPAC(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2c2ccnc3ccncc23)c1
InChIInChI=1S/C19H19N3O2/c1-24-15-4-2-3-13(9-15)19-10-14(23)12-22(19)18-6-8-21-17-5-7-20-11-16(17)18/h2-9,11,14,19,23H,10,12H2,1H3/t14-,19+/m0/s1
InChIKeyZCQMERQITWOGJD-IFXJQAMLSA-N
MW321.38 g/mol
LogP2.95
Rot. Bonds3

About (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol

(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (PubChem CID 129482038) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
PubChem CID129482038
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
SMILESCOc1cccc([C@H]2C[C@H](O)CN2c2ccnc3ccncc23)c1
InChIInChI=1S/C19H19N3O2/c1-24-15-4-2-3-13(9-15)19-10-14(23)12-22(19)18-6-8-21-17-5-7-20-11-16(17)18/h2-9,11,14,19,23H,10,12H2,1H3/t14-,19+/m0/s1
InChIKeyZCQMERQITWOGJD-IFXJQAMLSA-N
XLogP2.95
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-5-(4-fluorophenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129350389
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
(3R,5S)-5-(hydroxymethyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 154742177
5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129482001
2-fluoro-6-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]benzonitrile
CID 129481975
(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481983
(3-fluoro-4-pyridinyl)-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129481464
[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 129350056
(3-chloro-4-pyridinyl)-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 129350039
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol (CID 129482038) is (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is COc1cccc([C@H]2C[C@H](O)CN2c2ccnc3ccncc23)c1.
What is the InChIKey of (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
The InChIKey is ZCQMERQITWOGJD-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-15-4-2-3-13(9-15)19-10-14(23)12-22(19)18-6-8-21-17-5-7-20-11-16(17)18/h2-9,11,14,19,23H,10,12H2,1H3/t14-,19+/m0/s1.
What are the key properties of (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol?
(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol has a molecular weight of 321.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).