5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

C18H18FN5O2 — CID 118130778

IUPAC5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C)c(-c2cc(C(=O)Nc3ccncc3F)nn2C)cn1
InChIInChI=1S/C18H18FN5O2/c1-4-26-17-7-11(2)12(9-21-17)16-8-15(23-24(16)3)18(25)22-14-5-6-20-10-13(14)19/h5-10H,4H2,1-3H3,(H,20,22,25)
InChIKeyOGPJLSAXJRFJBJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.98
Rot. Bonds5

About 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide

5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130778) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130778
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1cc(C)c(-c2cc(C(=O)Nc3ccncc3F)nn2C)cn1
InChIInChI=1S/C18H18FN5O2/c1-4-26-17-7-11(2)12(9-21-17)16-8-15(23-24(16)3)18(25)22-14-5-6-20-10-13(14)19/h5-10H,4H2,1-3H3,(H,20,22,25)
InChIKeyOGPJLSAXJRFJBJ-UHFFFAOYSA-N
XLogP2.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130778) is 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is CCOc1cc(C)c(-c2cc(C(=O)Nc3ccncc3F)nn2C)cn1.
What is the InChIKey of 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is OGPJLSAXJRFJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-4-26-17-7-11(2)12(9-21-17)16-8-15(23-24(16)3)18(25)22-14-5-6-20-10-13(14)19/h5-10H,4H2,1-3H3,(H,20,22,25).
What are the key properties of 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide?
5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxy-4-methyl-3-pyridinyl)-N-(3-fluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).