2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide

C23H27N3O2 — CID 11958409

IUPAC2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC
InChIInChI=1S/C23H27N3O2/c1-3-5-14-26-23(28-4-2)19-12-10-17(15-21(19)25-26)22(27)24-20-13-11-16-8-6-7-9-18(16)20/h6-10,12,15,20H,3-5,11,13-14H2,1-2H3,(H,24,27)
InChIKeyITZISJJTUNFAFL-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.65
Rot. Bonds7

About 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide

2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide (PubChem CID 11958409) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
PubChem CID11958409
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC
InChIInChI=1S/C23H27N3O2/c1-3-5-14-26-23(28-4-2)19-12-10-17(15-21(19)25-26)22(27)24-20-13-11-16-8-6-7-9-18(16)20/h6-10,12,15,20H,3-5,11,13-14H2,1-2H3,(H,24,27)
InChIKeyITZISJJTUNFAFL-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide?
The IUPAC name of 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide (CID 11958409) is 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide.
What is the SMILES notation for 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide?
The canonical SMILES for 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide is CCCCn1nc2cc(C(=O)NC3CCc4ccccc43)ccc2c1OCC.
What is the InChIKey of 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide?
The InChIKey is ITZISJJTUNFAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-5-14-26-23(28-4-2)19-12-10-17(15-21(19)25-26)22(27)24-20-13-11-16-8-6-7-9-18(16)20/h6-10,12,15,20H,3-5,11,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide?
2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(2,3-dihydro-1H-inden-1-yl)-3-ethoxyindazole-6-carboxamide is sourced from PubChem (CID 11958409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).