1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide

C23H27N5O4 — CID 177176324

IUPAC1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
SMILESCN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)C(=O)C1
InChIInChI=1S/C23H27N5O4/c1-26-9-10-28(21(29)15-26)8-3-11-31-18-4-6-19(7-5-18)32-20-13-16(23(24)30)12-17-14-25-27(2)22(17)20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H2,24,30)
InChIKeyKBPQXLUKXIRSHP-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.01
Rot. Bonds8

About 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide

1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide (PubChem CID 177176324) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
PubChem CID177176324
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide
SMILESCN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)C(=O)C1
InChIInChI=1S/C23H27N5O4/c1-26-9-10-28(21(29)15-26)8-3-11-31-18-4-6-19(7-5-18)32-20-13-16(23(24)30)12-17-14-25-27(2)22(17)20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H2,24,30)
InChIKeyKBPQXLUKXIRSHP-UHFFFAOYSA-N
XLogP2.01
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide?
The IUPAC name of 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide (CID 177176324) is 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide.
What is the SMILES notation for 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide?
The canonical SMILES for 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide is CN1CCN(CCCOc2ccc(Oc3cc(C(N)=O)cc4cnn(C)c34)cc2)C(=O)C1.
What is the InChIKey of 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide?
The InChIKey is KBPQXLUKXIRSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-26-9-10-28(21(29)15-26)8-3-11-31-18-4-6-19(7-5-18)32-20-13-16(23(24)30)12-17-14-25-27(2)22(17)20/h4-7,12-14H,3,8-11,15H2,1-2H3,(H2,24,30).
What are the key properties of 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide?
1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[4-[3-(4-methyl-2-oxopiperazin-1-yl)propoxy]phenoxy]indazole-5-carboxamide is sourced from PubChem (CID 177176324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).