4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine

C25H31F2N7 — CID 155532302

IUPAC4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cnn(C5CCCC5)c4)n3)cc2F)CC1
InChIInChI=1S/C25H31F2N7/c1-32(2)19-9-11-33(12-10-19)23-8-7-18(13-21(23)26)30-25-28-15-22(27)24(31-25)17-14-29-34(16-17)20-5-3-4-6-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3,(H,28,30,31)
InChIKeyFIZYEZVQLHYAIE-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.01
Rot. Bonds6

About 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine

4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine (PubChem CID 155532302) has the molecular formula C25H31F2N7 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine
PubChem CID155532302
Molecular FormulaC25H31F2N7
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cnn(C5CCCC5)c4)n3)cc2F)CC1
InChIInChI=1S/C25H31F2N7/c1-32(2)19-9-11-33(12-10-19)23-8-7-18(13-21(23)26)30-25-28-15-22(27)24(31-25)17-14-29-34(16-17)20-5-3-4-6-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3,(H,28,30,31)
InChIKeyFIZYEZVQLHYAIE-UHFFFAOYSA-N
XLogP5.01
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-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 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine (CID 155532302) is 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine is CN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cnn(C5CCCC5)c4)n3)cc2F)CC1.
What is the InChIKey of 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine?
The InChIKey is FIZYEZVQLHYAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N7/c1-32(2)19-9-11-33(12-10-19)23-8-7-18(13-21(23)26)30-25-28-15-22(27)24(31-25)17-14-29-34(16-17)20-5-3-4-6-20/h7-8,13-16,19-20H,3-6,9-12H2,1-2H3,(H,28,30,31).
What are the key properties of 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine?
4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine has a molecular weight of 467.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpyrazol-4-yl)-N-[4-[4-(dimethylamino)piperidin-1-yl]-3-fluorophenyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 155532302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).