N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

C21H20N6O4 — CID 90665756

IUPACN,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3ccn(C)n3)cc2o1
InChIInChI=1S/C21H20N6O4/c1-12-7-14-16(30-12)8-13(20(28)24-18-5-6-27(4)25-18)9-17(14)31-19-11-22-15(10-23-19)21(29)26(2)3/h5-11H,1-4H3,(H,24,25,28)
InChIKeyJHNHALDHPAWSFV-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.01
Rot. Bonds5

About N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (PubChem CID 90665756) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
PubChem CID90665756
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC NameN,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3ccn(C)n3)cc2o1
InChIInChI=1S/C21H20N6O4/c1-12-7-14-16(30-12)8-13(20(28)24-18-5-6-27(4)25-18)9-17(14)31-19-11-22-15(10-23-19)21(29)26(2)3/h5-11H,1-4H3,(H,24,25,28)
InChIKeyJHNHALDHPAWSFV-UHFFFAOYSA-N
XLogP3.01
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (CID 90665756) is N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is Cc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3ccn(C)n3)cc2o1.
What is the InChIKey of N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The InChIKey is JHNHALDHPAWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-12-7-14-16(30-12)8-13(20(28)24-18-5-6-27(4)25-18)9-17(14)31-19-11-22-15(10-23-19)21(29)26(2)3/h5-11H,1-4H3,(H,24,25,28).
What are the key properties of N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[2-methyl-6-[(1-methylpyrazol-3-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is sourced from PubChem (CID 90665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).