1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

C73H83Cl6F3N16O4 — CID 157147643

About 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine

1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 157147643) has the molecular formula C73H83Cl6F3N16O4 and a molecular weight of 1518.29 g/mol. Its IUPAC name is 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
• PubChem CID: 157147643
• Molecular Formula: C73H83Cl6F3N16O4
• Molecular Weight: 1518.29 g/mol
• Exact Mass: 1514.49
• IUPAC Name: 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C3CCN(C(=O)CN(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCN(CC4CC4)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CCN1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1
• InChI: InChI=1S/C25H29Cl2FN6O2.C25H28Cl2FN5O.C23H26Cl2FN5O/c1-15(23-19(26)4-5-20(28)24(23)27)36-21-10-16(11-30-25(21)29)17-12-31-34(13-17)18-6-8-33(9-7-18)22(35)14-32(2)3;1-15(23-20(26)4-5-21(28)24(23)27)34-22-10-17(11-30-25(22)29)18-12-31-33(14-18)19-6-8-32(9-7-19)13-16-2-3-16;1-3-30-8-6-17(7-9-30)31-13-16(12-29-31)15-10-20(23(27)28-11-15)32-14(2)21-18(24)4-5-19(26)22(21)25/h4-5,10-13,15,18H,6-9,14H2,1-3H3,(H2,29,30);4-5,10-12,14-16,19H,2-3,6-9,13H2,1H3,(H2,29,30);4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28)
• InChIKey: AKWRUQULTHTQCU-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 227.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.29
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

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-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?

The IUPAC name of 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 157147643) is 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

What is the SMILES notation for 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?

The canonical SMILES for 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCN(C(=O)CN(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCN(CC4CC4)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CCN1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1.

What is the InChIKey of 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?

The InChIKey is AKWRUQULTHTQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2FN6O2.C25H28Cl2FN5O.C23H26Cl2FN5O/c1-15(23-19(26)4-5-20(28)24(23)27)36-21-10-16(11-30-25(21)29)17-12-31-34(13-17)18-6-8-33(9-7-18)22(35)14-32(2)3;1-15(23-20(26)4-5-21(28)24(23)27)34-22-10-17(11-30-25(22)29)18-12-31-33(14-18)19-6-8-32(9-7-19)13-16-2-3-16;1-3-30-8-6-17(7-9-30)31-13-16(12-29-31)15-10-20(23(27)28-11-15)32-14(2)21-18(24)4-5-19(26)22(21)25/h4-5,10-13,15,18H,6-9,14H2,1-3H3,(H2,29,30);4-5,10-12,14-16,19H,2-3,6-9,13H2,1H3,(H2,29,30);4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28).

What are the key properties of 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?

1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 1518.29 g/mol, XLogP of 16.77, 20 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-[1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 157147643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).