(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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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).