N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide

C22H21N3O2 — CID 53034406

IUPACN-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
SMILESCc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(C)o4)cc32)cc1
InChIInChI=1S/C22H21N3O2/c1-15-3-6-17(7-4-15)14-25-21-11-18(8-9-19(21)12-24-25)22(26)23-13-20-10-5-16(2)27-20/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeySSJXNIIXIUWSHK-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.22
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide (PubChem CID 53034406) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
PubChem CID53034406
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide
SMILESCc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(C)o4)cc32)cc1
InChIInChI=1S/C22H21N3O2/c1-15-3-6-17(7-4-15)14-25-21-11-18(8-9-19(21)12-24-25)22(26)23-13-20-10-5-16(2)27-20/h3-12H,13-14H2,1-2H3,(H,23,26)
InChIKeySSJXNIIXIUWSHK-UHFFFAOYSA-N
XLogP4.22
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
2-butyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
CID 24790749
2-butyl-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 24794231
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
N-Benzyl-2-butyl-3-ethoxy-2H-indazole-6-carboxamide
CID 11958402
N-[(1R)-1-cyclohexylethyl]-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958403
3-methoxy-N-[(4-methylphenyl)methyl]-2-propylindazole-6-carboxamide
CID 11958421
3-ethoxy-2-ethyl-N-o-anisyl-indazole-6-carboxamide
CID 11958433
2H-Indazole-6-carboxamide, 3-ethoxy-2-methyl-N-(4-phenylbutyl)-
CID 11958437
2-butyl-3-ethoxy-N-[[(2S)-oxolan-2-yl]methyl]indazole-6-carboxamide
CID 11958463
2H-Indazole-6-carboxamide, 3-methoxy-2-methyl-N-(4-phenylbutyl)-
CID 11958682

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide (CID 53034406) is N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide is Cc1ccc(Cn2ncc3ccc(C(=O)NCc4ccc(C)o4)cc32)cc1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
The InChIKey is SSJXNIIXIUWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-3-6-17(7-4-15)14-25-21-11-18(8-9-19(21)12-24-25)22(26)23-13-20-10-5-16(2)27-20/h3-12H,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-[(4-methylphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53034406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).