2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine

C31H29FN4O2 — CID 69361070

IUPAC2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine
SMILESFc1ccc(-c2ccc(-n3ncc(CN4CCC(COc5ccccn5)CC4)c3-c3ccco3)cc2)cc1
InChIInChI=1S/C31H29FN4O2/c32-27-10-6-24(7-11-27)25-8-12-28(13-9-25)36-31(29-4-3-19-37-29)26(20-34-36)21-35-17-14-23(15-18-35)22-38-30-5-1-2-16-33-30/h1-13,16,19-20,23H,14-15,17-18,21-22H2
InChIKeyMLPIKWHCTHKFIQ-UHFFFAOYSA-N
MW508.60 g/mol
LogP6.62
Rot. Bonds8

About 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine

2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine (PubChem CID 69361070) has the molecular formula C31H29FN4O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine
PubChem CID69361070
Molecular FormulaC31H29FN4O2
Molecular Weight508.60 g/mol
Exact Mass508.23
IUPAC Name2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine
SMILESFc1ccc(-c2ccc(-n3ncc(CN4CCC(COc5ccccn5)CC4)c3-c3ccco3)cc2)cc1
InChIInChI=1S/C31H29FN4O2/c32-27-10-6-24(7-11-27)25-8-12-28(13-9-25)36-31(29-4-3-19-37-29)26(20-34-36)21-35-17-14-23(15-18-35)22-38-30-5-1-2-16-33-30/h1-13,16,19-20,23H,14-15,17-18,21-22H2
InChIKeyMLPIKWHCTHKFIQ-UHFFFAOYSA-N
XLogP6.62
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine?
The IUPAC name of 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine (CID 69361070) is 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine is Fc1ccc(-c2ccc(-n3ncc(CN4CCC(COc5ccccn5)CC4)c3-c3ccco3)cc2)cc1.
What is the InChIKey of 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine?
The InChIKey is MLPIKWHCTHKFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FN4O2/c32-27-10-6-24(7-11-27)25-8-12-28(13-9-25)36-31(29-4-3-19-37-29)26(20-34-36)21-35-17-14-23(15-18-35)22-38-30-5-1-2-16-33-30/h1-13,16,19-20,23H,14-15,17-18,21-22H2.
What are the key properties of 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine?
2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine has a molecular weight of 508.60 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[1-[4-(4-fluorophenyl)phenyl]-5-(furan-2-yl)pyrazol-4-yl]methyl]piperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 69361070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).