N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine

C43H34Cl3FN12 — CID 161053692

IUPACN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESClc1ccc(-c2nc(Nc3n[nH]c4ccccc34)ncc2-n2ccnc2)c(Cl)c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H21ClFN5.C20H13Cl2N7/c24-18-9-5-4-8-16(18)21-13-20(14-6-2-1-3-7-14)26-23(27-21)28-22-17-12-15(25)10-11-19(17)29-30-22;21-12-5-6-13(15(22)9-12)18-17(29-8-7-23-11-29)10-24-20(25-18)26-19-14-3-1-2-4-16(14)27-28-19/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30);1-11H,(H2,24,25,26,27,28)
InChIKeyUCLSSTDZRJKPLL-UHFFFAOYSA-N
MW844.19 g/mol
LogP11.86
Rot. Bonds8

About N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine

N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine (PubChem CID 161053692) has the molecular formula C43H34Cl3FN12 and a molecular weight of 844.19 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
PubChem CID161053692
Molecular FormulaC43H34Cl3FN12
Molecular Weight844.19 g/mol
Exact Mass842.21
IUPAC NameN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine
SMILESClc1ccc(-c2nc(Nc3n[nH]c4ccccc34)ncc2-n2ccnc2)c(Cl)c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H21ClFN5.C20H13Cl2N7/c24-18-9-5-4-8-16(18)21-13-20(14-6-2-1-3-7-14)26-23(27-21)28-22-17-12-15(25)10-11-19(17)29-30-22;21-12-5-6-13(15(22)9-12)18-17(29-8-7-23-11-29)10-24-20(25-18)26-19-14-3-1-2-4-16(14)27-28-19/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30);1-11H,(H2,24,25,26,27,28)
InChIKeyUCLSSTDZRJKPLL-UHFFFAOYSA-N
XLogP11.86
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.19
LogP ≤ 511.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The IUPAC name of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine (CID 161053692) is N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine is Clc1ccc(-c2nc(Nc3n[nH]c4ccccc34)ncc2-n2ccnc2)c(Cl)c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(C4CCCCC4)n3)c2c1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine?
The InChIKey is UCLSSTDZRJKPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5.C20H13Cl2N7/c24-18-9-5-4-8-16(18)21-13-20(14-6-2-1-3-7-14)26-23(27-21)28-22-17-12-15(25)10-11-19(17)29-30-22;21-12-5-6-13(15(22)9-12)18-17(29-8-7-23-11-29)10-24-20(25-18)26-19-14-3-1-2-4-16(14)27-28-19/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30);1-11H,(H2,24,25,26,27,28).
What are the key properties of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine?
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine has a molecular weight of 844.19 g/mol, XLogP of 11.86, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine;N-[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]-1H-indazol-3-amine is sourced from PubChem (CID 161053692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).