2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide

C16H21FN4O — CID 67340674

IUPAC2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(CCNC3CCCCC3)nc12
InChIInChI=1S/C16H21FN4O/c17-12-8-11-10-21(20-15(11)14(9-12)16(18)22)7-6-19-13-4-2-1-3-5-13/h8-10,13,19H,1-7H2,(H2,18,22)
InChIKeyUBHJWIBWEGZCCZ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.20
Rot. Bonds5

About 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide

2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide (PubChem CID 67340674) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide
PubChem CID67340674
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(CCNC3CCCCC3)nc12
InChIInChI=1S/C16H21FN4O/c17-12-8-11-10-21(20-15(11)14(9-12)16(18)22)7-6-19-13-4-2-1-3-5-13/h8-10,13,19H,1-7H2,(H2,18,22)
InChIKeyUBHJWIBWEGZCCZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide?
The IUPAC name of 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide (CID 67340674) is 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(CCNC3CCCCC3)nc12.
What is the InChIKey of 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide?
The InChIKey is UBHJWIBWEGZCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-12-8-11-10-21(20-15(11)14(9-12)16(18)22)7-6-19-13-4-2-1-3-5-13/h8-10,13,19H,1-7H2,(H2,18,22).
What are the key properties of 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide?
2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)ethyl]-5-fluoroindazole-7-carboxamide is sourced from PubChem (CID 67340674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).