1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine

C77H76Cl8F4N22O6 — CID 158372311

About 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine

1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine (PubChem CID 158372311) has the molecular formula C77H76Cl8F4N22O6 and a molecular weight of 1765.22 g/mol. Its IUPAC name is 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine
• PubChem CID: 158372311
• Molecular Formula: C77H76Cl8F4N22O6
• Molecular Weight: 1765.22 g/mol
• Exact Mass: 1760.38
• IUPAC Name: 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C22H23Cl2FN6O3.C20H21Cl2FN6O.C20H20Cl2FN5O.C15H12Cl2FN5O/c1-12(19-15(23)2-3-16(25)20(19)24)34-22-21(26)27-9-17(29-22)13-8-28-31(10-13)14-4-6-30(7-5-14)18(33)11-32;1-11(17-14(21)2-3-15(23)18(17)22)30-20-19(24)26-9-16(28-20)12-8-27-29(10-12)13-4-6-25-7-5-13;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14;1-7(12-9(16)2-3-10(18)13(12)17)24-15-14(19)20-6-11(23-15)8-4-21-22-5-8/h2-3,8-10,12,14,32H,4-7,11H2,1H3,(H2,26,27);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22)
• InChIKey: GUTLLYAHIPBMQC-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 377.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1765.22
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The IUPAC name of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine (CID 158372311) is 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine.

What is the SMILES notation for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The canonical SMILES for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

The InChIKey is GUTLLYAHIPBMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN6O3.C20H21Cl2FN6O.C20H20Cl2FN5O.C15H12Cl2FN5O/c1-12(19-15(23)2-3-16(25)20(19)24)34-22-21(26)27-9-17(29-22)13-8-28-31(10-13)14-4-6-30(7-5-14)18(33)11-32;1-11(17-14(21)2-3-15(23)18(17)22)30-20-19(24)26-9-16(28-20)12-8-27-29(10-12)13-4-6-25-7-5-13;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-26-20(17)24)13-8-27-28(10-13)14-4-5-25-9-14;1-7(12-9(16)2-3-10(18)13(12)17)24-15-14(19)20-6-11(23-15)8-4-21-22-5-8/h2-3,8-10,12,14,32H,4-7,11H2,1H3,(H2,26,27);2-3,8-11,13,25H,4-7H2,1H3,(H2,24,26);2-3,6-8,10-11,14,25H,4-5,9H2,1H3,(H2,24,26);2-7H,1H3,(H2,19,20)(H,21,22).

What are the key properties of 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine?

1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 1765.22 g/mol, XLogP of 16.78, 20 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[5-amino-6-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]pyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1H-pyrazol-4-yl)pyrazin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-pyrrolidin-3-ylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 158372311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).