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

C17H16F2N4O — CID 44549778

IUPAC2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCC(F)F)cc3)nc12
InChIInChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24)
InChIKeyZJQXJILIJAEYNO-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.48
Rot. Bonds6

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

2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide (PubChem CID 44549778) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide
PubChem CID44549778
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc(CNCC(F)F)cc3)nc12
InChIInChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24)
InChIKeyZJQXJILIJAEYNO-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide (CID 44549778) is 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc(CNCC(F)F)cc3)nc12.
What is the InChIKey of 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is ZJQXJILIJAEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c18-15(19)9-21-8-11-4-6-13(7-5-11)23-10-12-2-1-3-14(17(20)24)16(12)22-23/h1-7,10,15,21H,8-9H2,(H2,20,24).
What are the key properties of 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide?
2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-difluoroethylamino)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).