(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C19H20N4O — CID 155501090

IUPAC(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1Cc1cnccn1
InChIInChI=1S/C19H20N4O/c24-19-13-23(12-15(19)9-16-10-20-7-8-21-16)11-14-5-6-22-18-4-2-1-3-17(14)18/h1-8,10,15,19,24H,9,11-13H2/t15-,19-/m1/s1
InChIKeyMPWVHFNILRRELT-DNVCBOLYSA-N
MW320.40 g/mol
LogP2.06
Rot. Bonds4

About (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 155501090) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID155501090
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1Cc1cnccn1
InChIInChI=1S/C19H20N4O/c24-19-13-23(12-15(19)9-16-10-20-7-8-21-16)11-14-5-6-22-18-4-2-1-3-17(14)18/h1-8,10,15,19,24H,9,11-13H2/t15-,19-/m1/s1
InChIKeyMPWVHFNILRRELT-DNVCBOLYSA-N
XLogP2.06
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-4-(pyrazin-2-ylmethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 134705357
(6R)-6-(pyrazin-2-ylmethyl)-4-(quinolin-4-ylmethyl)-1,4-oxazepane
CID 124957727
(3S,4R)-1-[(2-methyl-1-benzothiophen-3-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134713884
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrrolidin-3-ol
CID 134710153
N-[(3R,4R)-4-hydroxy-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133360
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3S,4R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134712569
(3S,4R)-1-[(2-propoxynaphthalen-1-yl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134698944
(3S,4R)-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 134706673
(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135098037

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 155501090) is (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1Cc1cnccn1.
What is the InChIKey of (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is MPWVHFNILRRELT-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19-13-23(12-15(19)9-16-10-20-7-8-21-16)11-14-5-6-22-18-4-2-1-3-17(14)18/h1-8,10,15,19,24H,9,11-13H2/t15-,19-/m1/s1.
What are the key properties of (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 320.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155501090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).