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

C60H63FN12O4 — CID 161366958

IUPAC1-[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
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1
InChIInChI=1S/C30H31FN6O2.C30H32N6O2/c1-17-8-11-22(31)24(16-17)35-29(38)34-23-12-9-19(18-6-4-5-7-20(18)23)21-10-13-25(39-15-14-30(2,3)33)27-26(21)28(32)37-36-27;1-18-7-6-8-19(17-18)33-29(37)34-24-13-11-21(20-9-4-5-10-22(20)24)23-12-14-25(38-16-15-30(2,3)32)27-26(23)28(31)36-35-27/h4-13,16H,14-15,33H2,1-3H3,(H3,32,36,37)(H2,34,35,38);4-14,17H,15-16,32H2,1-3H3,(H3,31,35,36)(H2,33,34,37)
InChIKeyVPYATKHOEWIOCF-UHFFFAOYSA-N
MW1035.24 g/mol
LogP12.99
Rot. Bonds14

About 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

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 (PubChem CID 161366958) has the molecular formula C60H63FN12O4 and a molecular weight of 1035.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID161366958
Molecular FormulaC60H63FN12O4
Molecular Weight1035.24 g/mol
Exact Mass1034.51
IUPAC Name1-[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
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1
InChIInChI=1S/C30H31FN6O2.C30H32N6O2/c1-17-8-11-22(31)24(16-17)35-29(38)34-23-12-9-19(18-6-4-5-7-20(18)23)21-10-13-25(39-15-14-30(2,3)33)27-26(21)28(32)37-36-27;1-18-7-6-8-19(17-18)33-29(37)34-24-13-11-21(20-9-4-5-10-22(20)24)23-12-14-25(38-16-15-30(2,3)32)27-26(23)28(31)36-35-27/h4-13,16H,14-15,33H2,1-3H3,(H3,32,36,37)(H2,34,35,38);4-14,17H,15-16,32H2,1-3H3,(H3,31,35,36)(H2,33,34,37)
InChIKeyVPYATKHOEWIOCF-UHFFFAOYSA-N
XLogP12.99
TPSA262.16 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.24
LogP ≤ 512.99
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11166445
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-[4-[3-amino-7-[2-(dimethylamino)ethoxy]-1H-indazol-4-yl]phenyl]-3-(3-bromophenyl)urea
CID 66682276
1-[4-[3-amino-7-[(4-chlorophenoxy)methyl]-1H-indazol-4-yl]phenyl]-3-(3-methylphenyl)urea
CID 66681736
1-[4-[3-amino-7-(3-morpholin-4-ylpropoxy)-1H-indazol-4-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 66680715
1-(2-ethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 6468024
1-(3-methylphenyl)-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 55262140
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-[2-(cyanomethoxy)phenyl]-3-(3-methylphenyl)urea
CID 43369636
bis(1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea);1-[4-(8-amino-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-(3-methylphenyl)urea;methane
CID 160676850

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1.Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCC(C)(C)N)c4[nH]nc(N)c34)c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is VPYATKHOEWIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN6O2.C30H32N6O2/c1-17-8-11-22(31)24(16-17)35-29(38)34-23-12-9-19(18-6-4-5-7-20(18)23)21-10-13-25(39-15-14-30(2,3)33)27-26(21)28(32)37-36-27;1-18-7-6-8-19(17-18)33-29(37)34-24-13-11-21(20-9-4-5-10-22(20)24)23-12-14-25(38-16-15-30(2,3)32)27-26(23)28(31)36-35-27/h4-13,16H,14-15,33H2,1-3H3,(H3,32,36,37)(H2,34,35,38);4-14,17H,15-16,32H2,1-3H3,(H3,31,35,36)(H2,33,34,37).
What are the key properties of 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?
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 has a molecular weight of 1035.24 g/mol, XLogP of 12.99, 14 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161366958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).