2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide

C22H17FN4O2 — CID 67108013

IUPAC2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-6-3-15(4-7-18)14-29-21-8-5-16(17-11-25-26-12-17)10-20(21)22(28)27-19-2-1-9-24-13-19/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyVXRUKZJWPAUYCR-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.44
Rot. Bonds6

About 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide

2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide (PubChem CID 67108013) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
PubChem CID67108013
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C22H17FN4O2/c23-18-6-3-15(4-7-18)14-29-21-8-5-16(17-11-25-26-12-17)10-20(21)22(28)27-19-2-1-9-24-13-19/h1-13H,14H2,(H,25,26)(H,27,28)
InChIKeyVXRUKZJWPAUYCR-UHFFFAOYSA-N
XLogP4.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide (CID 67108013) is 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is VXRUKZJWPAUYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-18-6-3-15(4-7-18)14-29-21-8-5-16(17-11-25-26-12-17)10-20(21)22(28)27-19-2-1-9-24-13-19/h1-13H,14H2,(H,25,26)(H,27,28).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 388.40 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67108013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).