1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea

C22H22N6O — CID 174614613

IUPAC1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea
SMILESNCc1ccc(NC(=O)NCc2cccc(-n3nc(N)c4ccccc43)c2)cc1
InChIInChI=1S/C22H22N6O/c23-13-15-8-10-17(11-9-15)26-22(29)25-14-16-4-3-5-18(12-16)28-20-7-2-1-6-19(20)21(24)27-28/h1-12H,13-14,23H2,(H2,24,27)(H2,25,26,29)
InChIKeyUWPFMIOLZYQVPI-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.39
Rot. Bonds5

About 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea

1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea (PubChem CID 174614613) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea
PubChem CID174614613
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea
SMILESNCc1ccc(NC(=O)NCc2cccc(-n3nc(N)c4ccccc43)c2)cc1
InChIInChI=1S/C22H22N6O/c23-13-15-8-10-17(11-9-15)26-22(29)25-14-16-4-3-5-18(12-16)28-20-7-2-1-6-19(20)21(24)27-28/h1-12H,13-14,23H2,(H2,24,27)(H2,25,26,29)
InChIKeyUWPFMIOLZYQVPI-UHFFFAOYSA-N
XLogP3.39
TPSA110.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 151196094
1-[[3-(aminomethyl)phenyl]methyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886726
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
3-amino-N-[3-[[(4-chlorophenyl)carbamoylamino]methyl]phenyl]-1-methylindazole-4-carboxamide
CID 25175324
1-[[3-(aminomethyl)phenyl]methyl]-3-(3-bromophenyl)urea
CID 108870136
1-[3-(aminomethyl)phenyl]-3-[(4-ethylphenyl)methyl]urea
CID 106900402
3-amino-1-methyl-N-[3-[[[4-(trifluoromethyl)phenyl]carbamoylamino]methyl]phenyl]indazole-4-carboxamide
CID 25175157
1-[4-(aminomethyl)phenyl]-3-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]urea
CID 72845678
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 25009850
1-[[3-(aminomethyl)phenyl]methyl]-3-(2-iodophenyl)urea
CID 108868945
1-phenyl-3-[(3-sulfamoylphenyl)methyl]urea
CID 51970987

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea?
The IUPAC name of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea (CID 174614613) is 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea.
What is the SMILES notation for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea?
The canonical SMILES for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea is NCc1ccc(NC(=O)NCc2cccc(-n3nc(N)c4ccccc43)c2)cc1.
What is the InChIKey of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea?
The InChIKey is UWPFMIOLZYQVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-13-15-8-10-17(11-9-15)26-22(29)25-14-16-4-3-5-18(12-16)28-20-7-2-1-6-19(20)21(24)27-28/h1-12H,13-14,23H2,(H2,24,27)(H2,25,26,29).
What are the key properties of 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea?
1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea has a molecular weight of 386.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-aminoindazol-1-yl)phenyl]methyl]-3-[4-(aminomethyl)phenyl]urea is sourced from PubChem (CID 174614613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).