[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol

C19H20FN5O — CID 126733279

IUPAC[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESOCc1c(-c2cccnc2)nnn1C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN5O/c20-16-5-3-14(4-6-16)11-24-9-7-17(12-24)25-18(13-26)19(22-23-25)15-2-1-8-21-10-15/h1-6,8,10,17,26H,7,9,11-13H2
InChIKeyIKJDYOXYBPRINU-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.42
Rot. Bonds5

About [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol

[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol (PubChem CID 126733279) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol
PubChem CID126733279
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESOCc1c(-c2cccnc2)nnn1C1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN5O/c20-16-5-3-14(4-6-16)11-24-9-7-17(12-24)25-18(13-26)19(22-23-25)15-2-1-8-21-10-15/h1-6,8,10,17,26H,7,9,11-13H2
InChIKeyIKJDYOXYBPRINU-UHFFFAOYSA-N
XLogP2.42
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol?
The IUPAC name of [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol (CID 126733279) is [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol.
What is the SMILES notation for [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol?
The canonical SMILES for [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol is OCc1c(-c2cccnc2)nnn1C1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol?
The InChIKey is IKJDYOXYBPRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-16-5-3-14(4-6-16)11-24-9-7-17(12-24)25-18(13-26)19(22-23-25)15-2-1-8-21-10-15/h1-6,8,10,17,26H,7,9,11-13H2.
What are the key properties of [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol?
[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol has a molecular weight of 353.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-5-pyridin-3-yltriazol-4-yl]methanol is sourced from PubChem (CID 126733279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).