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

C27H23N3O3 — CID 23589812

IUPAC4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2OC)c1
InChIInChI=1S/C27H23N3O3/c1-32-21-9-5-6-17(14-21)16-28-27(31)22-12-13-23-24(26(22)33-2)25(30-29-23)20-11-10-18-7-3-4-8-19(18)15-20/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyPTBPFBXIMFWWII-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.33
Rot. Bonds6

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

4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide (PubChem CID 23589812) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
PubChem CID23589812
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2OC)c1
InChIInChI=1S/C27H23N3O3/c1-32-21-9-5-6-17(14-21)16-28-27(31)22-12-13-23-24(26(22)33-2)25(30-29-23)20-11-10-18-7-3-4-8-19(18)15-20/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyPTBPFBXIMFWWII-UHFFFAOYSA-N
XLogP5.33
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide (CID 23589812) is 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The canonical SMILES for 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2OC)c1.
What is the InChIKey of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
The InChIKey is PTBPFBXIMFWWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-32-21-9-5-6-17(14-21)16-28-27(31)22-12-13-23-24(26(22)33-2)25(30-29-23)20-11-10-18-7-3-4-8-19(18)15-20/h3-15H,16H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide?
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxyphenyl)methyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).