[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone

C16H15N5O3 — CID 136586594

IUPAC[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(-c2ccco2)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1
InChIInChI=1S/C16H15N5O3/c22-14-10-20(9-13(14)21-6-5-18-19-21)16(23)11-3-4-17-12(8-11)15-2-1-7-24-15/h1-8,13-14,22H,9-10H2/t13-,14-/m1/s1
InChIKeyAARWXKWUDAOEPF-ZIAGYGMSSA-N
MW325.33 g/mol
LogP0.99
Rot. Bonds3

About [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone

[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 136586594) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID136586594
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccnc(-c2ccco2)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1
InChIInChI=1S/C16H15N5O3/c22-14-10-20(9-13(14)21-6-5-18-19-21)16(23)11-3-4-17-12(8-11)15-2-1-7-24-15/h1-8,13-14,22H,9-10H2/t13-,14-/m1/s1
InChIKeyAARWXKWUDAOEPF-ZIAGYGMSSA-N
XLogP0.99
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 126825261
[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 138037943
2-cyclobutyl-2-fluoro-N-[(3R,4R)-1-[2-(furan-2-yl)pyridine-4-carbonyl]-4-hydroxypyrrolidin-3-yl]acetamide
CID 166402370
N-cyclopropyl-2-(furan-2-yl)-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 138023621
[2-(furan-2-yl)-4-pyridinyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 166256369
[2-(furan-2-yl)-4-pyridinyl]-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]methanone
CID 154806194
2-(3,4-difluorophenyl)-1-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 126822746
3,4-dihydro-1H-isochromen-6-yl-[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 154783959
[(3R,4S)-3-(dimethylamino)-4-(triazol-1-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-7-yl)methanone
CID 167789108
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
[4-(triazol-1-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121151178

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 136586594) is [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone is O=C(c1ccnc(-c2ccco2)c1)N1C[C@@H](O)[C@H](n2ccnn2)C1.
What is the InChIKey of [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AARWXKWUDAOEPF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-14-10-20(9-13(14)21-6-5-18-19-21)16(23)11-3-4-17-12(8-11)15-2-1-7-24-15/h1-8,13-14,22H,9-10H2/t13-,14-/m1/s1.
What are the key properties of [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 325.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-4-pyridinyl]-[(3R,4R)-3-hydroxy-4-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136586594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).