2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide

C22H27N3O3 — CID 11958417

IUPAC2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26)
InChIKeyYVZUUDHKAZZNCF-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.17
Rot. Bonds9

About 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide

2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 11958417) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID11958417
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
InChIInChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26)
InChIKeyYVZUUDHKAZZNCF-UHFFFAOYSA-N
XLogP4.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide (CID 11958417) is 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is YVZUUDHKAZZNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-6-13-25-22(28-5-2)18-12-11-16(14-19(18)24-25)21(26)23-15-17-9-7-8-10-20(17)27-3/h7-12,14H,4-6,13,15H2,1-3H3,(H,23,26).
What are the key properties of 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide?
2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-[(2-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).