1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

C27H31N7O — CID 11178869

IUPAC1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCN(C)CC4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C27H31N7O/c1-18-4-3-5-22(16-18)30-27(35)29-21-9-6-19(7-10-21)23-11-8-20(25-24(23)26(28)32-31-25)17-34-14-12-33(2)13-15-34/h3-11,16H,12-15,17H2,1-2H3,(H3,28,31,32)(H2,29,30,35)
InChIKeyZWLPFMJOMZEBOD-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea

1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (PubChem CID 11178869) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
PubChem CID11178869
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCN(C)CC4)c4[nH]nc(N)c34)cc2)c1
InChIInChI=1S/C27H31N7O/c1-18-4-3-5-22(16-18)30-27(35)29-21-9-6-19(7-10-21)23-11-8-20(25-24(23)26(28)32-31-25)17-34-14-12-33(2)13-15-34/h3-11,16H,12-15,17H2,1-2H3,(H3,28,31,32)(H2,29,30,35)
InChIKeyZWLPFMJOMZEBOD-UHFFFAOYSA-N
XLogP4.51
TPSA102.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea with MolForge

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Related Compounds

Linifanib
CID 11485656
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 11154134
N-[4-(3-amino-1-methyl-1H-indazol-4-yl)-phenyl]-N''-(3-methylphenyl)urea
CID 11176194
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-bromophenyl)urea
CID 11177668
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-phenylurea
CID 11244819
1-(4-(3-amino-7-fluoro-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11245809
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-ethylphenyl)urea
CID 11268741
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-m-tolylurea
CID 11314310
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-chlorophenyl)urea
CID 11337894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea (CID 11178869) is 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCN(C)CC4)c4[nH]nc(N)c34)cc2)c1.
What is the InChIKey of 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
The InChIKey is ZWLPFMJOMZEBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c1-18-4-3-5-22(16-18)30-27(35)29-21-9-6-19(7-10-21)23-11-8-20(25-24(23)26(28)32-31-25)17-34-14-12-33(2)13-15-34/h3-11,16H,12-15,17H2,1-2H3,(H3,28,31,32)(H2,29,30,35).
What are the key properties of 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea?
1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea has a molecular weight of 469.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-[(4-methylpiperazin-1-yl)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 11178869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).