1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea

C26H24F4N6O2 — CID 174506958

IUPAC1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(c1ccc(-c2ccc(CN3CCOCC3)c3[nH]nc(N)c23)cc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C26H24F4N6O2/c27-21-8-6-18(13-20(21)26(28,29)30)36(25(32)37)17-4-1-15(2-5-17)19-7-3-16(14-35-9-11-38-12-10-35)23-22(19)24(31)34-33-23/h1-8,13H,9-12,14H2,(H2,32,37)(H3,31,33,34)
InChIKeyUGGQJUYQPBXUAF-UHFFFAOYSA-N
MW528.51 g/mol
LogP5.02
Rot. Bonds5

About 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea

1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea (PubChem CID 174506958) has the molecular formula C26H24F4N6O2 and a molecular weight of 528.51 g/mol. Its IUPAC name is 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
PubChem CID174506958
Molecular FormulaC26H24F4N6O2
Molecular Weight528.51 g/mol
Exact Mass528.19
IUPAC Name1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea
SMILESNC(=O)N(c1ccc(-c2ccc(CN3CCOCC3)c3[nH]nc(N)c23)cc1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C26H24F4N6O2/c27-21-8-6-18(13-20(21)26(28,29)30)36(25(32)37)17-4-1-15(2-5-17)19-7-3-16(14-35-9-11-38-12-10-35)23-22(19)24(31)34-33-23/h1-8,13H,9-12,14H2,(H2,32,37)(H3,31,33,34)
InChIKeyUGGQJUYQPBXUAF-UHFFFAOYSA-N
XLogP5.02
TPSA113.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.51
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;toluene
CID 159650775
1-[3-(aminomethyl)-4-fluorophenyl]-1-[4-(3-amino-7-pyridin-4-yl-1H-indazol-4-yl)phenyl]urea
CID 174492333
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-1-[3-(aminomethyl)-4-fluorophenyl]urea
CID 174506998
1-[3-(aminomethyl)-4-fluorophenyl]-1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]urea
CID 174507048
1-[4-[3-amino-1-(2-morpholin-4-ylethyl)indazol-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 66680683
1-[4-[3-amino-7-[(propan-2-ylamino)methyl]-1H-indazol-4-yl]phenyl]-1-(3-chlorophenyl)urea
CID 174492332
1-[4-[4-amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-1-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 66589350
1-[4-[3-amino-7-(3-morpholin-4-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 66680715
1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 66681573
1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-1-[3-(aminomethyl)-4-fluorophenyl]urea
CID 174506968
5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402641
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 150521477

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea (CID 174506958) is 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea is NC(=O)N(c1ccc(-c2ccc(CN3CCOCC3)c3[nH]nc(N)c23)cc1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
The InChIKey is UGGQJUYQPBXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4N6O2/c27-21-8-6-18(13-20(21)26(28,29)30)36(25(32)37)17-4-1-15(2-5-17)19-7-3-16(14-35-9-11-38-12-10-35)23-22(19)24(31)34-33-23/h1-8,13H,9-12,14H2,(H2,32,37)(H3,31,33,34).
What are the key properties of 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea?
1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea has a molecular weight of 528.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-7-(morpholin-4-ylmethyl)-1H-indazol-4-yl]phenyl]-1-[4-fluoro-3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 174506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).