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

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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).