2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide

C18H23FN4O — CID 24968809

IUPAC2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(CCN(C3CCC3)C3CCC3)nc12
InChIInChI=1S/C18H23FN4O/c19-13-9-12-11-22(21-17(12)16(10-13)18(20)24)7-8-23(14-3-1-4-14)15-5-2-6-15/h9-11,14-15H,1-8H2,(H2,20,24)
InChIKeyRKBUUZPDRYEUQB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide

2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide (PubChem CID 24968809) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide
PubChem CID24968809
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(CCN(C3CCC3)C3CCC3)nc12
InChIInChI=1S/C18H23FN4O/c19-13-9-12-11-22(21-17(12)16(10-13)18(20)24)7-8-23(14-3-1-4-14)15-5-2-6-15/h9-11,14-15H,1-8H2,(H2,20,24)
InChIKeyRKBUUZPDRYEUQB-UHFFFAOYSA-N
XLogP2.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide?
The IUPAC name of 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide (CID 24968809) is 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(CCN(C3CCC3)C3CCC3)nc12.
What is the InChIKey of 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide?
The InChIKey is RKBUUZPDRYEUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-13-9-12-11-22(21-17(12)16(10-13)18(20)24)7-8-23(14-3-1-4-14)15-5-2-6-15/h9-11,14-15H,1-8H2,(H2,20,24).
What are the key properties of 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide?
2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(cyclobutyl)amino]ethyl]-5-fluoroindazole-7-carboxamide is sourced from PubChem (CID 24968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).