N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C23H26FN5O2 — CID 45228726

IUPACN-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(C)c(-c2cc(F)c3c(c2)CC(CNC(=O)c2cc(CC(C)C)[nH]n2)O3)n1
InChIInChI=1S/C23H26FN5O2/c1-12(2)5-17-9-20(29-28-17)23(30)26-11-18-7-16-6-15(8-19(24)22(16)31-18)21-14(4)25-10-13(3)27-21/h6,8-10,12,18H,5,7,11H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyIDIVYOSVAGFFBP-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.55
Rot. Bonds6

About N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 45228726) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID45228726
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC NameN-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1cnc(C)c(-c2cc(F)c3c(c2)CC(CNC(=O)c2cc(CC(C)C)[nH]n2)O3)n1
InChIInChI=1S/C23H26FN5O2/c1-12(2)5-17-9-20(29-28-17)23(30)26-11-18-7-16-6-15(8-19(24)22(16)31-18)21-14(4)25-10-13(3)27-21/h6,8-10,12,18H,5,7,11H2,1-4H3,(H,26,30)(H,28,29)
InChIKeyIDIVYOSVAGFFBP-UHFFFAOYSA-N
XLogP3.55
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 45228726) is N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is Cc1cnc(C)c(-c2cc(F)c3c(c2)CC(CNC(=O)c2cc(CC(C)C)[nH]n2)O3)n1.
What is the InChIKey of N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is IDIVYOSVAGFFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-12(2)5-17-9-20(29-28-17)23(30)26-11-18-7-16-6-15(8-19(24)22(16)31-18)21-14(4)25-10-13(3)27-21/h6,8-10,12,18H,5,7,11H2,1-4H3,(H,26,30)(H,28,29).
What are the key properties of N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,6-dimethylpyrazin-2-yl)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45228726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).