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

C22H20ClFN6 — CID 10224094

IUPACN-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C22H20ClFN6/c23-17-9-5-4-8-15(17)20-25-19(13-6-2-1-3-7-13)26-22(27-20)28-21-16-12-14(24)10-11-18(16)29-30-21/h4-5,8-13H,1-3,6-7H2,(H2,25,26,27,28,29,30)
InChIKeyFAPBQSIEVKMPSL-UHFFFAOYSA-N
MW422.90 g/mol
LogP6.00
Rot. Bonds4

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

N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine (PubChem CID 10224094) has the molecular formula C22H20ClFN6 and a molecular weight of 422.90 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
PubChem CID10224094
Molecular FormulaC22H20ClFN6
Molecular Weight422.90 g/mol
Exact Mass422.14
IUPAC NameN-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine
SMILESFc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc(C4CCCCC4)n3)c2c1
InChIInChI=1S/C22H20ClFN6/c23-17-9-5-4-8-15(17)20-25-19(13-6-2-1-3-7-13)26-22(27-20)28-21-16-12-14(24)10-11-18(16)29-30-21/h4-5,8-13H,1-3,6-7H2,(H2,25,26,27,28,29,30)
InChIKeyFAPBQSIEVKMPSL-UHFFFAOYSA-N
XLogP6.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The IUPAC name of N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine (CID 10224094) is N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine is Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc(C4CCCCC4)n3)c2c1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
The InChIKey is FAPBQSIEVKMPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6/c23-17-9-5-4-8-15(17)20-25-19(13-6-2-1-3-7-13)26-22(27-20)28-21-16-12-14(24)10-11-18(16)29-30-21/h4-5,8-13H,1-3,6-7H2,(H2,25,26,27,28,29,30).
What are the key properties of N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine?
N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine has a molecular weight of 422.90 g/mol, XLogP of 6.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6-cyclohexyl-1,3,5-triazin-2-yl]-5-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 10224094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).