5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide

C21H17FN4O3 — CID 46400150

IUPAC5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H17FN4O3/c22-16-2-4-17(5-3-16)28-14-18-6-7-19(29-18)21(27)24-13-15-8-10-23-20(12-15)26-11-1-9-25-26/h1-12H,13-14H2,(H,24,27)
InChIKeyIKCDZNWJTMJDKF-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.51
Rot. Bonds7

About 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 46400150) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
PubChem CID46400150
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C21H17FN4O3/c22-16-2-4-17(5-3-16)28-14-18-6-7-19(29-18)21(27)24-13-15-8-10-23-20(12-15)26-11-1-9-25-26/h1-12H,13-14H2,(H,24,27)
InChIKeyIKCDZNWJTMJDKF-UHFFFAOYSA-N
XLogP3.51
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651507
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 2166338
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
5-[(4-fluorophenoxy)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56517035
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 55690439

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide (CID 46400150) is 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide is O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is IKCDZNWJTMJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c22-16-2-4-17(5-3-16)28-14-18-6-7-19(29-18)21(27)24-13-15-8-10-23-20(12-15)26-11-1-9-25-26/h1-12H,13-14H2,(H,24,27).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46400150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).