1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea

C20H14ClF2N5O — CID 11407313

IUPAC1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(F)c3)c12
InChIInChI=1S/C20H14ClF2N5O/c21-13-9-11(5-6-14(13)22)25-20(29)26-16-7-4-10(8-15(16)23)12-2-1-3-17-18(12)19(24)28-27-17/h1-9H,(H3,24,27,28)(H2,25,26,29)
InChIKeyXTGFKWJKRWPKSI-UHFFFAOYSA-N
MW413.82 g/mol
LogP5.39
Rot. Bonds3

About 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea

1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea (PubChem CID 11407313) has the molecular formula C20H14ClF2N5O and a molecular weight of 413.82 g/mol. Its IUPAC name is 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
PubChem CID11407313
Molecular FormulaC20H14ClF2N5O
Molecular Weight413.82 g/mol
Exact Mass413.09
IUPAC Name1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea
SMILESNc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(F)c3)c12
InChIInChI=1S/C20H14ClF2N5O/c21-13-9-11(5-6-14(13)22)25-20(29)26-16-7-4-10(8-15(16)23)12-2-1-3-17-18(12)19(24)28-27-17/h1-9H,(H3,24,27,28)(H2,25,26,29)
InChIKeyXTGFKWJKRWPKSI-UHFFFAOYSA-N
XLogP5.39
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.82
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-amino-5-fluoro-1H-indazol-4-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 66681338
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
CID 118158372
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 25001134
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 122195167
1-[4-(3-amino-2,1-benzoxazol-4-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 69169347
6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 150521477
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)urea
CID 7616069
1-(3-chloro-4-fluorophenyl)-3-(2-hydroxyphenyl)urea
CID 108871538
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-[5-(3-amino-1H-indazol-4-yl)-2-pyridinyl]-3-(3-cyano-2-fluoro-5-methylphenyl)urea
CID 86567546

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea?
The IUPAC name of 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea (CID 11407313) is 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea is Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)c(F)c3)c12.
What is the InChIKey of 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea?
The InChIKey is XTGFKWJKRWPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N5O/c21-13-9-11(5-6-14(13)22)25-20(29)26-16-7-4-10(8-15(16)23)12-2-1-3-17-18(12)19(24)28-27-17/h1-9H,(H3,24,27,28)(H2,25,26,29).
What are the key properties of 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea?
1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea has a molecular weight of 413.82 g/mol, XLogP of 5.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1H-indazol-4-yl)-2-fluorophenyl]-3-(3-chloro-4-fluorophenyl)urea is sourced from PubChem (CID 11407313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).