6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine

C23H22ClFN6 — CID 70977483

IUPAC6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine
SMILESCCn1cc(-c2cncc(C(C)Nc3cc(-c4ccc(Cl)c(F)c4)nc(C)n3)c2)cn1
InChIInChI=1S/C23H22ClFN6/c1-4-31-13-19(12-27-31)18-7-17(10-26-11-18)14(2)28-23-9-22(29-15(3)30-23)16-5-6-20(24)21(25)8-16/h5-14H,4H2,1-3H3,(H,28,29,30)
InChIKeyQTJKXPIAYFBZLI-UHFFFAOYSA-N
MW436.92 g/mol
LogP5.70
Rot. Bonds6

About 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine

6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine (PubChem CID 70977483) has the molecular formula C23H22ClFN6 and a molecular weight of 436.92 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine
PubChem CID70977483
Molecular FormulaC23H22ClFN6
Molecular Weight436.92 g/mol
Exact Mass436.16
IUPAC Name6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine
SMILESCCn1cc(-c2cncc(C(C)Nc3cc(-c4ccc(Cl)c(F)c4)nc(C)n3)c2)cn1
InChIInChI=1S/C23H22ClFN6/c1-4-31-13-19(12-27-31)18-7-17(10-26-11-18)14(2)28-23-9-22(29-15(3)30-23)16-5-6-20(24)21(25)8-16/h5-14H,4H2,1-3H3,(H,28,29,30)
InChIKeyQTJKXPIAYFBZLI-UHFFFAOYSA-N
XLogP5.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.92
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine (CID 70977483) is 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine is CCn1cc(-c2cncc(C(C)Nc3cc(-c4ccc(Cl)c(F)c4)nc(C)n3)c2)cn1.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is QTJKXPIAYFBZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN6/c1-4-31-13-19(12-27-31)18-7-17(10-26-11-18)14(2)28-23-9-22(29-15(3)30-23)16-5-6-20(24)21(25)8-16/h5-14H,4H2,1-3H3,(H,28,29,30).
What are the key properties of 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine?
6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 436.92 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-N-[1-[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 70977483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).