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

C18H16F3N5O2 — CID 118130800

IUPACN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1ncc(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)c(C)c1F
InChIInChI=1S/C18H16F3N5O2/c1-4-28-18-15(21)9(2)10(6-23-18)14-5-13(25-26(14)3)17(27)24-16-11(19)7-22-8-12(16)20/h5-8H,4H2,1-3H3,(H,22,24,27)
InChIKeyRXRKRMUUECPILT-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.25
Rot. Bonds5

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

N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118130800) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
PubChem CID118130800
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide
SMILESCCOc1ncc(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)c(C)c1F
InChIInChI=1S/C18H16F3N5O2/c1-4-28-18-15(21)9(2)10(6-23-18)14-5-13(25-26(14)3)17(27)24-16-11(19)7-22-8-12(16)20/h5-8H,4H2,1-3H3,(H,22,24,27)
InChIKeyRXRKRMUUECPILT-UHFFFAOYSA-N
XLogP3.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide (CID 118130800) is N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide is CCOc1ncc(-c2cc(C(=O)Nc3c(F)cncc3F)nn2C)c(C)c1F.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is RXRKRMUUECPILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-4-28-18-15(21)9(2)10(6-23-18)14-5-13(25-26(14)3)17(27)24-16-11(19)7-22-8-12(16)20/h5-8H,4H2,1-3H3,(H,22,24,27).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-5-(6-ethoxy-5-fluoro-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118130800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).