4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

C16H14F2N4O — CID 46226398

IUPAC4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(F)c(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H14F2N4O/c1-20-7-9-2-4-10(5-3-9)22-8-12-14(18)13(17)6-11(16(19)23)15(12)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23)
InChIKeyFZOVFQSNFTTWDK-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.12
Rot. Bonds4

About 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 46226398) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID46226398
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(F)c(F)cc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H14F2N4O/c1-20-7-9-2-4-10(5-3-9)22-8-12-14(18)13(17)6-11(16(19)23)15(12)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23)
InChIKeyFZOVFQSNFTTWDK-UHFFFAOYSA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 46226398) is 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3c(F)c(F)cc(C(N)=O)c3n2)cc1.
What is the InChIKey of 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is FZOVFQSNFTTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-20-7-9-2-4-10(5-3-9)22-8-12-14(18)13(17)6-11(16(19)23)15(12)21-22/h2-6,8,20H,7H2,1H3,(H2,19,23).
What are the key properties of 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).