3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide

C24H23N3O2 — CID 129104723

IUPAC3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C24H23N3O2/c1-15-8-3-5-11-20(15)27-21-12-7-10-19(18(21)14-25-27)26-24(28)23-16(2)17-9-4-6-13-22(17)29-23/h3-6,8-9,11,13-14,19H,7,10,12H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyBJHVLYNPNVUTBP-LJQANCHMSA-N
MW385.47 g/mol
LogP5.04
Rot. Bonds3

About 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 129104723) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
PubChem CID129104723
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide
SMILESCc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C24H23N3O2/c1-15-8-3-5-11-20(15)27-21-12-7-10-19(18(21)14-25-27)26-24(28)23-16(2)17-9-4-6-13-22(17)29-23/h3-6,8-9,11,13-14,19H,7,10,12H2,1-2H3,(H,26,28)/t19-/m1/s1
InChIKeyBJHVLYNPNVUTBP-LJQANCHMSA-N
XLogP5.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3,5-dimethylfuran-2-carboxamide
CID 24791124
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24817171
N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiohydroxylamine;2-methylpropane
CID 145306123
2-amino-N-[(4R)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 97135012
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 24817447
1-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propylurea
CID 72867683
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyridine-2-carboxamide
CID 129104732
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxamide
CID 72915221
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 24791226
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131899205
3-methyl-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 95384792
2-[3-[[[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]indol-1-yl]acetamide
CID 42292655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide (CID 129104723) is 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide is Cc1ccccc1-n1ncc2c1CCC[C@H]2NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BJHVLYNPNVUTBP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-8-3-5-11-20(15)27-21-12-7-10-19(18(21)14-25-27)26-24(28)23-16(2)17-9-4-6-13-22(17)29-23/h3-6,8-9,11,13-14,19H,7,10,12H2,1-2H3,(H,26,28)/t19-/m1/s1.
What are the key properties of 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 129104723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).