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

C23H19FN4O2 — CID 123416599

IUPAC2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide
SMILESCc1cc(COc2ccc(-c3ccn[nH]3)cc2C(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-15-11-16(4-6-20(15)24)14-30-22-7-5-17(21-8-10-26-28-21)12-19(22)23(29)27-18-3-2-9-25-13-18/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyLHNPFQGYHBQGGH-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.75
Rot. Bonds6

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

2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide (PubChem CID 123416599) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide
PubChem CID123416599
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide
SMILESCc1cc(COc2ccc(-c3ccn[nH]3)cc2C(=O)Nc2cccnc2)ccc1F
InChIInChI=1S/C23H19FN4O2/c1-15-11-16(4-6-20(15)24)14-30-22-7-5-17(21-8-10-26-28-21)12-19(22)23(29)27-18-3-2-9-25-13-18/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyLHNPFQGYHBQGGH-UHFFFAOYSA-N
XLogP4.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-ethyl-2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1856804
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)-2-(propan-2-yloxy)benzamide
CID 154726271
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
6-Fluoro-N-(6-(4-methoxytetrahydro-2H-pyran-4-yl)pyridin-3-yl)-4-oxo-8-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4H-chromene-2-carboxamide
CID 45104767
(5E)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-pyridin-3-yl-1,2-dihydropyrazole-3-carboxamide
CID 1974306
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-Methyl-2-[(phenylmethyl)oxy]-N-3-pyridinylbenzamide
CID 67107177
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
2-[(4-fluorophenyl)methoxy]-5-(1H-pyrazol-4-yl)-N-pyridin-3-ylbenzamide
CID 67108013
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide (CID 123416599) is 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide is Cc1cc(COc2ccc(-c3ccn[nH]3)cc2C(=O)Nc2cccnc2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is LHNPFQGYHBQGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-11-16(4-6-20(15)24)14-30-22-7-5-17(21-8-10-26-28-21)12-19(22)23(29)27-18-3-2-9-25-13-18/h2-13H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide?
2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 402.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methoxy]-5-(1H-pyrazol-5-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 123416599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).