2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide

C17H17FN4O — CID 44549777

IUPAC2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCCF)cc3)nc12
InChIInChI=1S/C17H17FN4O/c18-8-9-20-10-12-4-6-14(7-5-12)22-11-13-2-1-3-15(17(19)23)16(13)21-22/h1-7,11,20H,8-10H2,(H2,19,23)
InChIKeyIEEWPQHRKIRYGC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide

2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide (PubChem CID 44549777) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide
PubChem CID44549777
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCCF)cc3)nc12
InChIInChI=1S/C17H17FN4O/c18-8-9-20-10-12-4-6-14(7-5-12)22-11-13-2-1-3-15(17(19)23)16(13)21-22/h1-7,11,20H,8-10H2,(H2,19,23)
InChIKeyIEEWPQHRKIRYGC-UHFFFAOYSA-N
XLogP2.18
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide (CID 44549777) is 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CNCCF)cc3)nc12.
What is the InChIKey of 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is IEEWPQHRKIRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-8-9-20-10-12-4-6-14(7-5-12)22-11-13-2-1-3-15(17(19)23)16(13)21-22/h1-7,11,20H,8-10H2,(H2,19,23).
What are the key properties of 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluoroethylamino)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).