1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea

C59H48FN19O5 — CID 123666529

IUPAC1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCOc1cc(-c2cc(-c3ccc(NC(=O)Nc4ccc(OCc5cc(-c6ccc(NC(=O)Nc7cc(C)ccc7F)nc6)c6c(N)nnn6c5)cc4)cc3)n3c(N)nnc3c2)ccc1NC(=O)Nc1ccc(-c2cccc3nnc(N)n23)cc1
InChIInChI=1S/C59H48FN19O5/c1-32-6-21-44(60)46(24-32)69-59(82)70-50-23-12-37(29-64-50)43-25-33(30-77-53(43)54(61)73-76-77)31-84-42-19-17-41(18-20-42)66-57(80)65-39-15-9-35(10-16-39)48-26-38(28-52-72-75-56(63)79(48)52)36-11-22-45(49(27-36)83-2)68-58(81)67-40-13-7-34(8-14-40)47-4-3-5-51-71-74-55(62)78(47)51/h3-30H,31,61H2,1-2H3,(H2,62,74)(H2,63,75)(H2,65,66,80)(H2,67,68,81)(H2,64,69,70,82)
InChIKeyCINUXONXIQZWKL-UHFFFAOYSA-N
MW1122.16 g/mol
LogP10.59
Rot. Bonds14

About 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea

1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 123666529) has the molecular formula C59H48FN19O5 and a molecular weight of 1122.16 g/mol. Its IUPAC name is 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID123666529
Molecular FormulaC59H48FN19O5
Molecular Weight1122.16 g/mol
Exact Mass1121.41
IUPAC Name1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCOc1cc(-c2cc(-c3ccc(NC(=O)Nc4ccc(OCc5cc(-c6ccc(NC(=O)Nc7cc(C)ccc7F)nc6)c6c(N)nnn6c5)cc4)cc3)n3c(N)nnc3c2)ccc1NC(=O)Nc1ccc(-c2cccc3nnc(N)n23)cc1
InChIInChI=1S/C59H48FN19O5/c1-32-6-21-44(60)46(24-32)69-59(82)70-50-23-12-37(29-64-50)43-25-33(30-77-53(43)54(61)73-76-77)31-84-42-19-17-41(18-20-42)66-57(80)65-39-15-9-35(10-16-39)48-26-38(28-52-72-75-56(63)79(48)52)36-11-22-45(49(27-36)83-2)68-58(81)67-40-13-7-34(8-14-40)47-4-3-5-51-71-74-55(62)78(47)51/h3-30H,31,61H2,1-2H3,(H2,62,74)(H2,63,75)(H2,65,66,80)(H2,67,68,81)(H2,64,69,70,82)
InChIKeyCINUXONXIQZWKL-UHFFFAOYSA-N
XLogP10.59
TPSA323.37 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001122.16
LogP ≤ 510.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Analyze 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-tert-butyl-1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86346135
1-[3-tert-butyl-1-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-5-yl]-3-[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 86687326
1-[3-Tert-butyl-1-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-5-yl]-3-[4-[2-[[1-(2-morpholin-4-ylethyl)indazol-5-yl]amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73297081
[2,5-difluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296267
[2-fluoro-4-[5-imidazo[1,2-a]pyrazin-8-yl-2-[2-methyl-6-(2-methylpropoxy)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]urea
CID 139296536
US11834453, Example 313
CID 167318882
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]-3-[4-(trifluoromethyl)pyridin-2-yl]urea
CID 17751887
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17751888
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-(trifluoromethoxy)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 59231979
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 59232110
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 59232126
1-[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-methoxyphenyl]-3-(3-fluorophenyl)urea
CID 59404972

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea (CID 123666529) is 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea is COc1cc(-c2cc(-c3ccc(NC(=O)Nc4ccc(OCc5cc(-c6ccc(NC(=O)Nc7cc(C)ccc7F)nc6)c6c(N)nnn6c5)cc4)cc3)n3c(N)nnc3c2)ccc1NC(=O)Nc1ccc(-c2cccc3nnc(N)n23)cc1.
What is the InChIKey of 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is CINUXONXIQZWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48FN19O5/c1-32-6-21-44(60)46(24-32)69-59(82)70-50-23-12-37(29-64-50)43-25-33(30-77-53(43)54(61)73-76-77)31-84-42-19-17-41(18-20-42)66-57(80)65-39-15-9-35(10-16-39)48-26-38(28-52-72-75-56(63)79(48)52)36-11-22-45(49(27-36)83-2)68-58(81)67-40-13-7-34(8-14-40)47-4-3-5-51-71-74-55(62)78(47)51/h3-30H,31,61H2,1-2H3,(H2,62,74)(H2,63,75)(H2,65,66,80)(H2,67,68,81)(H2,64,69,70,82).
What are the key properties of 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 1122.16 g/mol, XLogP of 10.59, 14 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 123666529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).