N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide

C24H21FN4O3 — CID 58487466

IUPACN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4ccccc4F)nc3)n(C)n2)c1
InChIInChI=1S/C24H21FN4O3/c1-29-21(13-20(28-29)18-12-16(31-2)9-10-22(18)32-3)15-8-11-23(26-14-15)27-24(30)17-6-4-5-7-19(17)25/h4-14H,1-3H3,(H,26,27,30)
InChIKeyMYMJTVPSELQVNK-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.56
Rot. Bonds6

About N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide

N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide (PubChem CID 58487466) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
PubChem CID58487466
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4ccccc4F)nc3)n(C)n2)c1
InChIInChI=1S/C24H21FN4O3/c1-29-21(13-20(28-29)18-12-16(31-2)9-10-22(18)32-3)15-8-11-23(26-14-15)27-24(30)17-6-4-5-7-19(17)25/h4-14H,1-3H3,(H,26,27,30)
InChIKeyMYMJTVPSELQVNK-UHFFFAOYSA-N
XLogP4.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide (CID 58487466) is N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide is COc1ccc(OC)c(-c2cc(-c3ccc(NC(=O)c4ccccc4F)nc3)n(C)n2)c1.
What is the InChIKey of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is MYMJTVPSELQVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-29-21(13-20(28-29)18-12-16(31-2)9-10-22(18)32-3)15-8-11-23(26-14-15)27-24(30)17-6-4-5-7-19(17)25/h4-14H,1-3H3,(H,26,27,30).
What are the key properties of N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide?
N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 432.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 58487466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).