6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine

C19H18ClFN8 — CID 134440892

IUPAC6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cn4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H18ClFN8/c1-10-18(14-6-5-13(21)8-22-14)28(4)27-19(10)25-15-7-16(24-9-23-15)29-12(3)17(20)11(2)26-29/h5-9H,1-4H3,(H,23,24,25,27)
InChIKeyKNZLPTDFXIPQDE-UHFFFAOYSA-N
MW412.86 g/mol
LogP3.92
Rot. Bonds4

About 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine (PubChem CID 134440892) has the molecular formula C19H18ClFN8 and a molecular weight of 412.86 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
PubChem CID134440892
Molecular FormulaC19H18ClFN8
Molecular Weight412.86 g/mol
Exact Mass412.13
IUPAC Name6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine
SMILESCc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cn4)c3C)ncn2)c(C)c1Cl
InChIInChI=1S/C19H18ClFN8/c1-10-18(14-6-5-13(21)8-22-14)28(4)27-19(10)25-15-7-16(24-9-23-15)29-12(3)17(20)11(2)26-29/h5-9H,1-4H3,(H,23,24,25,27)
InChIKeyKNZLPTDFXIPQDE-UHFFFAOYSA-N
XLogP3.92
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.86
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-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-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine (CID 134440892) is 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine is Cc1nn(-c2cc(Nc3nn(C)c(-c4ccc(F)cn4)c3C)ncn2)c(C)c1Cl.
What is the InChIKey of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is KNZLPTDFXIPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN8/c1-10-18(14-6-5-13(21)8-22-14)28(4)27-19(10)25-15-7-16(24-9-23-15)29-12(3)17(20)11(2)26-29/h5-9H,1-4H3,(H,23,24,25,27).
What are the key properties of 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine?
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 412.86 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[5-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 134440892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).