(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C14H18N4O — CID 135113029

IUPAC(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C14H18N4O/c19-13-9-18(10-14-16-5-6-17-14)8-12(13)7-11-1-3-15-4-2-11/h1-6,12-13,19H,7-10H2,(H,16,17)/t12-,13-/m1/s1
InChIKeySDPRZFPQCLRMNY-CHWSQXEVSA-N
MW258.32 g/mol
LogP0.84
Rot. Bonds4

About (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135113029) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135113029
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C14H18N4O/c19-13-9-18(10-14-16-5-6-17-14)8-12(13)7-11-1-3-15-4-2-11/h1-6,12-13,19H,7-10H2,(H,16,17)/t12-,13-/m1/s1
InChIKeySDPRZFPQCLRMNY-CHWSQXEVSA-N
XLogP0.84
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
(3S,4R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135090297
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
CID 130604179
(3S,4R)-1-[(2-phenylpyrazol-3-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155501184
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(4-pyridin-3-ylphenyl)methyl]pyrrolidin-3-ol
CID 162626048
(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527
6-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137303365
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
(3S,4R)-1-(isoquinolin-5-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 162635956
(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134708803
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50956578

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 135113029) is (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is O[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1Cc1ccncc1.
What is the InChIKey of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is SDPRZFPQCLRMNY-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H18N4O/c19-13-9-18(10-14-16-5-6-17-14)8-12(13)7-11-1-3-15-4-2-11/h1-6,12-13,19H,7-10H2,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135113029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).