2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide

C30H23FN4O2 — CID 144548267

IUPAC2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c(-c3ccc4c(ccn4-c4ccncc4)c3)cc12
InChIInChI=1S/C30H23FN4O2/c1-32-25-17-27-24(28(30(36)33-2)29(37-27)18-3-6-21(31)7-4-18)16-23(25)19-5-8-26-20(15-19)11-14-35(26)22-9-12-34-13-10-22/h3-17,32H,1-2H3,(H,33,36)
InChIKeyRKVQMTJFSRQPAL-UHFFFAOYSA-N
MW490.54 g/mol
LogP6.65
Rot. Bonds5

About 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 144548267) has the molecular formula C30H23FN4O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide
PubChem CID144548267
Molecular FormulaC30H23FN4O2
Molecular Weight490.54 g/mol
Exact Mass490.18
IUPAC Name2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c(-c3ccc4c(ccn4-c4ccncc4)c3)cc12
InChIInChI=1S/C30H23FN4O2/c1-32-25-17-27-24(28(30(36)33-2)29(37-27)18-3-6-21(31)7-4-18)16-23(25)19-5-8-26-20(15-19)11-14-35(26)22-9-12-34-13-10-22/h3-17,32H,1-2H3,(H,33,36)
InChIKeyRKVQMTJFSRQPAL-UHFFFAOYSA-N
XLogP6.65
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.54
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-5-(1-pyridin-4-ylindol-6-yl)-1-benzofuran-3-carboxamide
CID 126602725
2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-(methylamino)-1-benzofuran-3-carboxamide
CID 134405324
tert-butyl 5-[6-(ethylsulfonylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]indole-1-carboxylate
CID 118341047
[2-(4-fluorophenyl)-6-(methylamino)-3-(methylcarbamoyl)-1-benzofuran-5-yl]boronic acid
CID 144679662
2-(4-fluorophenyl)-5-[1-(4-fluorophenyl)pyrrolo[3,2-b]pyridin-6-yl]-N-methyl-6-[methyl(methylsulfinyl)amino]-1-benzofuran-3-carboxamide
CID 134405278
2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-5-[3-(1-oxoisoquinolin-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 71141984
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-5-[2-[(4-fluorophenyl)methyl]-1-oxoisoquinolin-7-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 121332842
5-[3-[1-(2-amino-2-oxoethyl)indol-2-yl]phenyl]-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71139866
2-(4-fluorophenyl)-N,5-dimethyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxamide
CID 121481081
5-(4-cyanophenyl)-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71140107
6-(4-cyanobutylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-phenyl-1-benzofuran-3-carboxamide
CID 71140160
2-(4-fluorophenyl)-N-methyl-6-[(1-methylsulfonyl-1-phenylethyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 71140049

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide (CID 144548267) is 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NC)c(-c3ccc4c(ccn4-c4ccncc4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide?
The InChIKey is RKVQMTJFSRQPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN4O2/c1-32-25-17-27-24(28(30(36)33-2)29(37-27)18-3-6-21(31)7-4-18)16-23(25)19-5-8-26-20(15-19)11-14-35(26)22-9-12-34-13-10-22/h3-17,32H,1-2H3,(H,33,36).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 6.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144548267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).