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

C23H19FN4O2 — CID 67107333

IUPAC2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1
InChIInChI=1S/C23H19FN4O2/c1-28-14-18(12-26-28)17-6-9-22(30-15-16-4-7-19(24)8-5-16)21(11-17)23(29)27-20-3-2-10-25-13-20/h2-14H,15H2,1H3,(H,27,29)
InChIKeyVUMUPUNGURLXSH-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.45
Rot. Bonds6

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

2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide (PubChem CID 67107333) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide
PubChem CID67107333
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1
InChIInChI=1S/C23H19FN4O2/c1-28-14-18(12-26-28)17-6-9-22(30-15-16-4-7-19(24)8-5-16)21(11-17)23(29)27-20-3-2-10-25-13-20/h2-14H,15H2,1H3,(H,27,29)
InChIKeyVUMUPUNGURLXSH-UHFFFAOYSA-N
XLogP4.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide (CID 67107333) is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide is Cn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)Nc3cccnc3)c2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is VUMUPUNGURLXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-28-14-18(12-26-28)17-6-9-22(30-15-16-4-7-19(24)8-5-16)21(11-17)23(29)27-20-3-2-10-25-13-20/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide?
2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 402.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 67107333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).