6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine

C34H33FN8O2 — CID 121272396

IUPAC6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cn2ncc(F)c2-c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C34H33FN8O2/c1-22-28-13-8-25(18-31(28)41(2)40-22)30-19-32(39-34(38-30)42-14-16-45-17-15-42)37-26-9-6-24(7-10-26)33-29(35)20-36-43(33)21-23-4-11-27(44-3)12-5-23/h4-13,18-20H,14-17,21H2,1-3H3,(H,37,38,39)
InChIKeyPLVDBZLLCNOOQT-UHFFFAOYSA-N
MW604.69 g/mol
LogP5.98
Rot. Bonds8

About 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine

6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272396) has the molecular formula C34H33FN8O2 and a molecular weight of 604.69 g/mol. Its IUPAC name is 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272396
Molecular FormulaC34H33FN8O2
Molecular Weight604.69 g/mol
Exact Mass604.27
IUPAC Name6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc(Cn2ncc(F)c2-c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)cc1
InChIInChI=1S/C34H33FN8O2/c1-22-28-13-8-25(18-31(28)41(2)40-22)30-19-32(39-34(38-30)42-14-16-45-17-15-42)37-26-9-6-24(7-10-26)33-29(35)20-36-43(33)21-23-4-11-27(44-3)12-5-23/h4-13,18-20H,14-17,21H2,1-3H3,(H,37,38,39)
InChIKeyPLVDBZLLCNOOQT-UHFFFAOYSA-N
XLogP5.98
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.69
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine 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

6-(1,3-dimethylindazol-6-yl)-2-morpholin-4-yl-N-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]pyrimidin-4-amine
CID 121275812
N-(4-chlorophenyl)-6-[1-[3-(dimethylamino)propyl]-3-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 121272239
4-[4-chloro-6-(1,3-dimethylindazol-6-yl)pyrimidin-2-yl]morpholine
CID 121275852
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
N-[6-[3-(2-aminoethyl)-1-methylindazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1-methylindol-6-amine
CID 121272192
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
6-(1-methylindazol-6-yl)-2-morpholin-4-yl-N-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrimidin-4-amine
CID 121272367
1-methyl-N-[6-(1-methyl-3-pentylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
CID 146922635
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
3-methyl-1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 160707838

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272396) is 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine is COc1ccc(Cn2ncc(F)c2-c2ccc(Nc3cc(-c4ccc5c(C)nn(C)c5c4)nc(N4CCOCC4)n3)cc2)cc1.
What is the InChIKey of 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is PLVDBZLLCNOOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O2/c1-22-28-13-8-25(18-31(28)41(2)40-22)30-19-32(39-34(38-30)42-14-16-45-17-15-42)37-26-9-6-24(7-10-26)33-29(35)20-36-43(33)21-23-4-11-27(44-3)12-5-23/h4-13,18-20H,14-17,21H2,1-3H3,(H,37,38,39).
What are the key properties of 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 604.69 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylindazol-6-yl)-N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]phenyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).