1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

C23H22FN5O3 — CID 11166445

IUPAC1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCOCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)n[nH]c12
InChIInChI=1S/C23H22FN5O3/c1-13-3-9-17(24)18(11-13)27-23(30)26-15-6-4-14(5-7-15)16-8-10-19(32-12-31-2)21-20(16)22(25)29-28-21/h3-11H,12H2,1-2H3,(H3,25,28,29)(H2,26,27,30)
InChIKeyBTZZJDQGJIKMSR-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.89
Rot. Bonds6

About 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 11166445) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID11166445
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCOCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)n[nH]c12
InChIInChI=1S/C23H22FN5O3/c1-13-3-9-17(24)18(11-13)27-23(30)26-15-6-4-14(5-7-15)16-8-10-19(32-12-31-2)21-20(16)22(25)29-28-21/h3-11H,12H2,1-2H3,(H3,25,28,29)(H2,26,27,30)
InChIKeyBTZZJDQGJIKMSR-UHFFFAOYSA-N
XLogP4.89
TPSA114.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-amino-7-[2-(diethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 66680975
1-[4-[3-amino-7-(3-pyridin-4-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 66680959
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
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-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(2-fluoro-5-methylphenyl)urea;1-[4-[3-amino-7-(3-amino-3-methylbutoxy)-1H-indazol-4-yl]naphthalen-1-yl]-3-(3-methylphenyl)urea
CID 161366958
1-[4-(3-amino-7-fluoro-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 69169305
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(4-fluoro-3-methylphenyl)urea
CID 66680417
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 66681736
1-[4-[3-amino-7-[2-(dimethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-bromophenyl)urea
CID 66682276
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-[4-(3-amino-1H-indazol-4-yl)phenyl]-3-(2-fluoro-3-methylphenyl)urea
CID 118158372
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 73295888

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 11166445) is 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is COCOc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)n[nH]c12.
What is the InChIKey of 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is BTZZJDQGJIKMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-13-3-9-17(24)18(11-13)27-23(30)26-15-6-4-14(5-7-15)16-8-10-19(32-12-31-2)21-20(16)22(25)29-28-21/h3-11H,12H2,1-2H3,(H3,25,28,29)(H2,26,27,30).
What are the key properties of 1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 435.46 g/mol, XLogP of 4.89, 6 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-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 11166445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).