(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

C15H20N4O — CID 134699950

IUPAC(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESCn1ccnc1CN1C[C@@H](Cc2ccccn2)[C@H](O)C1
InChIInChI=1S/C15H20N4O/c1-18-7-6-17-15(18)11-19-9-12(14(20)10-19)8-13-4-2-3-5-16-13/h2-7,12,14,20H,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyUDJCPMUVTXFJBP-TZMCWYRMSA-N
MW272.35 g/mol
LogP0.85
Rot. Bonds4

About (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 134699950) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID134699950
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
SMILESCn1ccnc1CN1C[C@@H](Cc2ccccn2)[C@H](O)C1
InChIInChI=1S/C15H20N4O/c1-18-7-6-17-15(18)11-19-9-12(14(20)10-19)8-13-4-2-3-5-16-13/h2-7,12,14,20H,8-11H2,1H3/t12-,14-/m1/s1
InChIKeyUDJCPMUVTXFJBP-TZMCWYRMSA-N
XLogP0.85
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
(3S,4R)-4-(pyridin-2-ylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134714421
(3S,4R)-1-[(5-phenyl-2H-triazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 155501524
(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386275
(3S,4R)-1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134703698
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
formic acid;methyl 4-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]butanoate
CID 155972625
(3S,4R)-1-[(1-cyclopropylimidazol-2-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 135108369
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457917

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol (CID 134699950) is (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is Cn1ccnc1CN1C[C@@H](Cc2ccccn2)[C@H](O)C1.
What is the InChIKey of (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is UDJCPMUVTXFJBP-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-7-6-17-15(18)11-19-9-12(14(20)10-19)8-13-4-2-3-5-16-13/h2-7,12,14,20H,8-11H2,1H3/t12-,14-/m1/s1.
What are the key properties of (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134699950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).