(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

C17H18N6O2 — CID 166619181

IUPAC(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCc1noc(-c2ccnc(N3C[C@@H](Cc4cnccn4)[C@H](O)C3)c2)n1
InChIInChI=1S/C17H18N6O2/c1-11-21-17(25-22-11)12-2-3-20-16(7-12)23-9-13(15(24)10-23)6-14-8-18-4-5-19-14/h2-5,7-8,13,15,24H,6,9-10H2,1H3/t13-,15-/m1/s1
InChIKeyPQLUPEMJCAXCDH-UKRRQHHQSA-N
MW338.37 g/mol
LogP1.27
Rot. Bonds4

About (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 166619181) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID166619181
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
SMILESCc1noc(-c2ccnc(N3C[C@@H](Cc4cnccn4)[C@H](O)C3)c2)n1
InChIInChI=1S/C17H18N6O2/c1-11-21-17(25-22-11)12-2-3-20-16(7-12)23-9-13(15(24)10-23)6-14-8-18-4-5-19-14/h2-5,7-8,13,15,24H,6,9-10H2,1H3/t13-,15-/m1/s1
InChIKeyPQLUPEMJCAXCDH-UKRRQHHQSA-N
XLogP1.27
TPSA101.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,4R)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155501660
N-[(3R,4S)-3-ethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]acetamide
CID 169413534
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
(3S,4R)-1-(3-methoxy-6-methyl-2-pyridinyl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 155492969
(1R,3R)-3-ethoxy-7-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-7-azaspiro[3.5]nonan-1-ol
CID 97216279
2-[1-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]triazol-4-yl]ethanol
CID 46985548
(3S,4R)-1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol
CID 135110363
(3S,4S)-4-methyl-9-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688984
3-methyl-5-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 166213956
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770093

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol (CID 166619181) is (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is Cc1noc(-c2ccnc(N3C[C@@H](Cc4cnccn4)[C@H](O)C3)c2)n1.
What is the InChIKey of (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is PQLUPEMJCAXCDH-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-11-21-17(25-22-11)12-2-3-20-16(7-12)23-9-13(15(24)10-23)6-14-8-18-4-5-19-14/h2-5,7-8,13,15,24H,6,9-10H2,1H3/t13-,15-/m1/s1.
What are the key properties of (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 338.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 166619181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).