N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine

C23H21ClFN5 — CID 10202412

IUPACN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H21ClFN5/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/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30)
InChIKeyFIUXMBYEQQIBLF-UHFFFAOYSA-N
MW421.91 g/mol
LogP6.60
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10202412) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
PubChem CID10202412
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC NameN-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)cc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C23H21ClFN5/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/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30)
InChIKeyFIUXMBYEQQIBLF-UHFFFAOYSA-N
XLogP6.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.91
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine (CID 10202412) is N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine is 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?
The InChIKey is FIUXMBYEQQIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/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/h4-5,8-14H,1-3,6-7H2,(H2,26,27,28,29,30).
What are the key properties of N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine?
N-[4-(2-chlorophenyl)-6-cyclohexylpyrimidin-2-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 421.91 g/mol, XLogP of 6.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 10202412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).