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

C20H23N5O — CID 44549651

IUPAC2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)13-15-5-7-17(8-6-15)25-14-16-3-2-4-18(20(21)26)19(16)22-25/h2-8,14H,9-13H2,1H3,(H2,21,26)
InChIKeyKBEFMADEMWRMCL-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.87
Rot. Bonds4

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

2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide (PubChem CID 44549651) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
PubChem CID44549651
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)13-15-5-7-17(8-6-15)25-14-16-3-2-4-18(20(21)26)19(16)22-25/h2-8,14H,9-13H2,1H3,(H2,21,26)
InChIKeyKBEFMADEMWRMCL-UHFFFAOYSA-N
XLogP1.87
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide (CID 44549651) is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide is CN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
The InChIKey is KBEFMADEMWRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)13-15-5-7-17(8-6-15)25-14-16-3-2-4-18(20(21)26)19(16)22-25/h2-8,14H,9-13H2,1H3,(H2,21,26).
What are the key properties of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide?
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 44549651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).