4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

C16H16N4O2 — CID 135971442

IUPAC4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(O)ccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H16N4O2/c1-18-8-10-2-4-11(5-3-10)20-9-13-14(21)7-6-12(16(17)22)15(13)19-20/h2-7,9,18,21H,8H2,1H3,(H2,17,22)
InChIKeyHKXZRGSDSIDGHN-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.55
Rot. Bonds4

About 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide

4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (PubChem CID 135971442) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
PubChem CID135971442
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide
SMILESCNCc1ccc(-n2cc3c(O)ccc(C(N)=O)c3n2)cc1
InChIInChI=1S/C16H16N4O2/c1-18-8-10-2-4-11(5-3-10)20-9-13-14(21)7-6-12(16(17)22)15(13)19-20/h2-7,9,18,21H,8H2,1H3,(H2,17,22)
InChIKeyHKXZRGSDSIDGHN-UHFFFAOYSA-N
XLogP1.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide (CID 135971442) is 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is CNCc1ccc(-n2cc3c(O)ccc(C(N)=O)c3n2)cc1.
What is the InChIKey of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
The InChIKey is HKXZRGSDSIDGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-18-8-10-2-4-11(5-3-10)20-9-13-14(21)7-6-12(16(17)22)15(13)19-20/h2-7,9,18,21H,8H2,1H3,(H2,17,22).
What are the key properties of 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide?
4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[4-(methylaminomethyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 135971442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).