[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium

C20H18FN4O+ — CID 38052390

IUPAC[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)cc1
InChIInChI=1S/C20H17FN4O/c21-17-6-4-15(5-7-17)19-9-8-18(26-19)14-22-13-16-3-1-10-23-20(16)25-12-2-11-24-25/h1-12,22H,13-14H2/p+1
InChIKeyFEGZBVJAVUWCHP-UHFFFAOYSA-O
MW349.39 g/mol
LogP2.93
Rot. Bonds6

About [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium

[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium (PubChem CID 38052390) has the molecular formula C20H18FN4O+ and a molecular weight of 349.39 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium
PubChem CID38052390
Molecular FormulaC20H18FN4O+
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium
SMILESFc1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)cc1
InChIInChI=1S/C20H17FN4O/c21-17-6-4-15(5-7-17)19-9-8-18(26-19)14-22-13-16-3-1-10-23-20(16)25-12-2-11-24-25/h1-12,22H,13-14H2/p+1
InChIKeyFEGZBVJAVUWCHP-UHFFFAOYSA-O
XLogP2.93
TPSA60.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium (CID 38052390) is [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium is Fc1ccc(-c2ccc(C[NH2+]Cc3cccnc3-n3cccn3)o2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium?
The InChIKey is FEGZBVJAVUWCHP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17FN4O/c21-17-6-4-15(5-7-17)19-9-8-18(26-19)14-22-13-16-3-1-10-23-20(16)25-12-2-11-24-25/h1-12,22H,13-14H2/p+1.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium?
[5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium has a molecular weight of 349.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-yl-3-pyridinyl)methyl]azanium is sourced from PubChem (CID 38052390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).