(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

C19H21N5O — CID 155501524

IUPAC(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1Cc1ccccn1
InChIInChI=1S/C19H21N5O/c25-18-13-24(11-15(18)10-16-8-4-5-9-20-16)12-17-19(22-23-21-17)14-6-2-1-3-7-14/h1-9,15,18,25H,10-13H2,(H,21,22,23)/t15-,18-/m1/s1
InChIKeyJFRLLKONDGAEKY-CRAIPNDOSA-N
MW335.41 g/mol
LogP1.90
Rot. Bonds5

About (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 155501524) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID155501524
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1Cc1ccccn1
InChIInChI=1S/C19H21N5O/c25-18-13-24(11-15(18)10-16-8-4-5-9-20-16)12-17-19(22-23-21-17)14-6-2-1-3-7-14/h1-9,15,18,25H,10-13H2,(H,21,22,23)/t15-,18-/m1/s1
InChIKeyJFRLLKONDGAEKY-CRAIPNDOSA-N
XLogP1.90
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 134699950
(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
1-ethyl-3-(pyridin-2-ylmethyl)piperidin-4-ol
CID 110540631
(3S,4R)-1-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134706285
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
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(3S,4R)-1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
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formic acid;methyl 4-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]butanoate
CID 155972625
1-[(3R,4S)-4-hydroxy-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134705370
2-(azepan-1-yl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 134709766
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (CID 155501524) is (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(Cc2n[nH]nc2-c2ccccc2)C[C@H]1Cc1ccccn1.
What is the InChIKey of (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is JFRLLKONDGAEKY-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H21N5O/c25-18-13-24(11-15(18)10-16-8-4-5-9-20-16)12-17-19(22-23-21-17)14-6-2-1-3-7-14/h1-9,15,18,25H,10-13H2,(H,21,22,23)/t15-,18-/m1/s1.
What are the key properties of (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 335.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).