3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

C17H21N7O — CID 167827199

IUPAC3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESCO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cn(Cc3cccnc3)nn2)C1
InChIInChI=1S/C17H21N7O/c1-25-15-7-16(17-19-5-6-20-17)23(12-15)10-14-11-24(22-21-14)9-13-3-2-4-18-8-13/h2-6,8,11,15-16H,7,9-10,12H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyQIQAGRFGLDENKI-CVEARBPZSA-N
MW339.40 g/mol
LogP1.41
Rot. Bonds6

About 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (PubChem CID 167827199) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
PubChem CID167827199
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESCO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cn(Cc3cccnc3)nn2)C1
InChIInChI=1S/C17H21N7O/c1-25-15-7-16(17-19-5-6-20-17)23(12-15)10-14-11-24(22-21-14)9-13-3-2-4-18-8-13/h2-6,8,11,15-16H,7,9-10,12H2,1H3,(H,19,20)/t15-,16+/m1/s1
InChIKeyQIQAGRFGLDENKI-CVEARBPZSA-N
XLogP1.41
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
CID 167921637
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
CID 154870278
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
CID 154765204
5-chloro-2-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]benzonitrile
CID 154765197
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]pyridine
CID 81449718
(4R,4aR,7aR)-1-cyclobutyl-4-methoxy-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 124788645
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761
3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 154761735

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (CID 167827199) is 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is CO[C@@H]1C[C@@H](c2ncc[nH]2)N(Cc2cn(Cc3cccnc3)nn2)C1.
What is the InChIKey of 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The InChIKey is QIQAGRFGLDENKI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H21N7O/c1-25-15-7-16(17-19-5-6-20-17)23(12-15)10-14-11-24(22-21-14)9-13-3-2-4-18-8-13/h2-6,8,11,15-16H,7,9-10,12H2,1H3,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine has a molecular weight of 339.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 167827199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).