2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide

C20H23N5O2 — CID 69181909

IUPAC2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O)CC1
InChIInChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)12-14-5-6-16(11-18(14)26)25-13-15-3-2-4-17(20(21)27)19(15)22-25/h2-6,11,13,26H,7-10,12H2,1H3,(H2,21,27)
InChIKeyCVRASFRESGLZAQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.58
Rot. Bonds4

About 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide

2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide (PubChem CID 69181909) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
PubChem CID69181909
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O)CC1
InChIInChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)12-14-5-6-16(11-18(14)26)25-13-15-3-2-4-17(20(21)27)19(15)22-25/h2-6,11,13,26H,7-10,12H2,1H3,(H2,21,27)
InChIKeyCVRASFRESGLZAQ-UHFFFAOYSA-N
XLogP1.58
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide (CID 69181909) is 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide is CN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2O)CC1.
What is the InChIKey of 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is CVRASFRESGLZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-7-9-24(10-8-23)12-14-5-6-16(11-18(14)26)25-13-15-3-2-4-17(20(21)27)19(15)22-25/h2-6,11,13,26H,7-10,12H2,1H3,(H2,21,27).
What are the key properties of 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 69181909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).