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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Related Compounds

7-[4-(3-hydroxypropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176497
1-methyl-7-[4-[2-(1,2,4-triazol-4-yl)ethoxy]phenoxy]indazole-5-carboxamide
CID 177176744
1-methyl-7-[4-[3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)-3-oxopropoxy]phenoxy]indazole-5-carboxamide
CID 177176730
7-[4-(2,2-difluoro-3-morpholin-4-ylpropoxy)phenoxy]-1-methylindazole-5-carboxamide
CID 177176752
5-[2-fluoro-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenoxy]imidazo[1,5-a]pyridine-7-carboxamide
CID 177176638
6-(4-hydroxyphenoxy)-1-methylindazole-5-carboxamide
CID 177176482
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
6-[4-[2-[(3-hydroxybicyclo[1.1.1]pentane-1-carbonyl)amino]ethoxy]phenoxy]-1-methylindazole-5-carboxamide
CID 177176687
1-(3-aminopropyl)-4-methylpiperazin-2-one
CID 69460716
6-[4-[2-(oxan-4-yloxy)ethoxy]phenoxy]-1-(trideuteriomethyl)indazole-5-carboxamide
CID 177176588
ethyl 7-acetyloxy-1-methylindazole-5-carboxylate
CID 170986034
1-(aminomethyl)-4-methylpiperazin-2-one
CID 115102213

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).