1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

C18H20FN5O — CID 75446092

IUPAC1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(c3ncccc3F)C2)o1
InChIInChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23)
InChIKeyMHAWOYGXUUTSQT-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.88
Rot. Bonds5

About 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine

1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 75446092) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
PubChem CID75446092
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CNC2CCN(c3ncccc3F)C2)o1
InChIInChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23)
InChIKeyMHAWOYGXUUTSQT-UHFFFAOYSA-N
XLogP2.88
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine (CID 75446092) is 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is Cc1ccc(-c2[nH]ncc2CNC2CCN(c3ncccc3F)C2)o1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is MHAWOYGXUUTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-4-5-16(25-12)17-13(10-22-23-17)9-21-14-6-8-24(11-14)18-15(19)3-2-7-20-18/h2-5,7,10,14,21H,6,8-9,11H2,1H3,(H,22,23).
What are the key properties of 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine?
1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 341.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 75446092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).