5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

C20H22Cl2FN7O — CID 143190169

IUPAC5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCN(N)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H22Cl2FN7O/c1-11(17-14(21)2-3-15(23)18(17)22)31-20-19(24)26-9-16(28-20)12-8-27-30(10-12)13-4-6-29(25)7-5-13/h2-3,8-11,13H,4-7,25H2,1H3,(H2,24,26)/t11-/m1/s1
InChIKeyKOYVACSHJLWMJL-LLVKDONJSA-N
MW466.35 g/mol
LogP4.02
Rot. Bonds5

About 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 143190169) has the molecular formula C20H22Cl2FN7O and a molecular weight of 466.35 g/mol. Its IUPAC name is 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID143190169
Molecular FormulaC20H22Cl2FN7O
Molecular Weight466.35 g/mol
Exact Mass465.12
IUPAC Name5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESC[C@@H](Oc1nc(-c2cnn(C3CCN(N)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C20H22Cl2FN7O/c1-11(17-14(21)2-3-15(23)18(17)22)31-20-19(24)26-9-16(28-20)12-8-27-30(10-12)13-4-6-29(25)7-5-13/h2-3,8-11,13H,4-7,25H2,1H3,(H2,24,26)/t11-/m1/s1
InChIKeyKOYVACSHJLWMJL-LLVKDONJSA-N
XLogP4.02
TPSA108.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-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 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The IUPAC name of 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (CID 143190169) is 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is C[C@@H](Oc1nc(-c2cnn(C3CCN(N)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is KOYVACSHJLWMJL-LLVKDONJSA-N. The full InChI is InChI=1S/C20H22Cl2FN7O/c1-11(17-14(21)2-3-15(23)18(17)22)31-20-19(24)26-9-16(28-20)12-8-27-30(10-12)13-4-6-29(25)7-5-13/h2-3,8-11,13H,4-7,25H2,1H3,(H2,24,26)/t11-/m1/s1.
What are the key properties of 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 466.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-aminopiperidin-4-yl)pyrazol-4-yl]-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 143190169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).