1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C15H20FN5O — CID 154756913

IUPAC1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCC(C)n1cc(C2(O)CCN(Cc3ccc(F)cn3)C2)nn1
InChIInChI=1S/C15H20FN5O/c1-11(2)21-9-14(18-19-21)15(22)5-6-20(10-15)8-13-4-3-12(16)7-17-13/h3-4,7,9,11,22H,5-6,8,10H2,1-2H3
InChIKeyAMDICVMBUMKCDY-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.49
Rot. Bonds4

About 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 154756913) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID154756913
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCC(C)n1cc(C2(O)CCN(Cc3ccc(F)cn3)C2)nn1
InChIInChI=1S/C15H20FN5O/c1-11(2)21-9-14(18-19-21)15(22)5-6-20(10-15)8-13-4-3-12(16)7-17-13/h3-4,7,9,11,22H,5-6,8,10H2,1-2H3
InChIKeyAMDICVMBUMKCDY-UHFFFAOYSA-N
XLogP1.49
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 154756913) is 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is CC(C)n1cc(C2(O)CCN(Cc3ccc(F)cn3)C2)nn1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is AMDICVMBUMKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-11(2)21-9-14(18-19-21)15(22)5-6-20(10-15)8-13-4-3-12(16)7-17-13/h3-4,7,9,11,22H,5-6,8,10H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 305.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-pyridinyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 154756913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).