4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide

C25H21N3O3 — CID 23589813

IUPAC4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C25H21N3O3/c1-15-7-10-19(31-15)14-26-25(29)20-11-12-21-22(24(20)30-2)23(28-27-21)18-9-8-16-5-3-4-6-17(16)13-18/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyWWAITQMPBABXRV-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.22
Rot. Bonds5

About 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide

4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 23589813) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID23589813
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12
InChIInChI=1S/C25H21N3O3/c1-15-7-10-19(31-15)14-26-25(29)20-11-12-21-22(24(20)30-2)23(28-27-21)18-9-8-16-5-3-4-6-17(16)13-18/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyWWAITQMPBABXRV-UHFFFAOYSA-N
XLogP5.22
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 23589813) is 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.
What is the InChIKey of 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is WWAITQMPBABXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-15-7-10-19(31-15)14-26-25(29)20-11-12-21-22(24(20)30-2)23(28-27-21)18-9-8-16-5-3-4-6-17(16)13-18/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).