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

C87H87Cl8F4N21O5 — CID 157375392

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

1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (PubChem CID 157375392) has the molecular formula C87H87Cl8F4N21O5 and a molecular weight of 1866.41 g/mol. Its IUPAC name is 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• PubChem CID: 157375392
• Molecular Formula: C87H87Cl8F4N21O5
• Molecular Weight: 1866.41 g/mol
• Exact Mass: 1861.46
• IUPAC Name: 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
• SMILES: CC(Oc1cc(-c2cnn(C3CC(CC#N)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CN(C(=O)CN(C)C)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CN(CC4CC4)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C23H25Cl2FN6O2.C23H24Cl2FN5O.C22H20Cl2FN5O.C19H18Cl2FN5O/c1-13(21-17(24)4-5-18(26)22(21)25)34-19-6-14(7-28-23(19)27)15-8-29-32(9-15)16-10-31(11-16)20(33)12-30(2)3;1-13(21-18(24)4-5-19(26)22(21)25)32-20-6-15(7-28-23(20)27)16-8-29-31(10-16)17-11-30(12-17)9-14-2-3-14;1-12(20-17(23)2-3-18(25)21(20)24)31-19-8-14(9-28-22(19)27)15-10-29-30(11-15)16-6-13(7-16)4-5-26;1-10(17-14(20)2-3-15(22)18(17)21)28-16-4-11(5-25-19(16)23)12-6-26-27(9-12)13-7-24-8-13/h4-9,13,16H,10-12H2,1-3H3,(H2,27,28);4-8,10,13-14,17H,2-3,9,11-12H2,1H3,(H2,27,28);2-3,8-13,16H,4,6-7H2,1H3,(H2,27,28);2-6,9-10,13,24H,7-8H2,1H3,(H2,23,25)
• InChIKey: BKGPJSZHEJIZOD-UHFFFAOYSA-N
• XLogP: 19.67
• TPSA: 326.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.41
LogP ≤ 5	19.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine?

The IUPAC name of 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine (CID 157375392) is 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine.

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

The canonical SMILES for 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CC(CC#N)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CN(C(=O)CN(C)C)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CN(CC4CC4)C3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CNC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.

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

The InChIKey is BKGPJSZHEJIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN6O2.C23H24Cl2FN5O.C22H20Cl2FN5O.C19H18Cl2FN5O/c1-13(21-17(24)4-5-18(26)22(21)25)34-19-6-14(7-28-23(19)27)15-8-29-32(9-15)16-10-31(11-16)20(33)12-30(2)3;1-13(21-18(24)4-5-19(26)22(21)25)32-20-6-15(7-28-23(20)27)16-8-29-31(10-16)17-11-30(12-17)9-14-2-3-14;1-12(20-17(23)2-3-18(25)21(20)24)31-19-8-14(9-28-22(19)27)15-10-29-30(11-15)16-6-13(7-16)4-5-26;1-10(17-14(20)2-3-15(22)18(17)21)28-16-4-11(5-25-19(16)23)12-6-26-27(9-12)13-7-24-8-13/h4-9,13,16H,10-12H2,1-3H3,(H2,27,28);4-8,10,13-14,17H,2-3,9,11-12H2,1H3,(H2,27,28);2-3,8-13,16H,4,6-7H2,1H3,(H2,27,28);2-6,9-10,13,24H,7-8H2,1H3,(H2,23,25).

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

1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine has a molecular weight of 1866.41 g/mol, XLogP of 19.67, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]azetidin-1-yl]-2-(dimethylamino)ethanone;2-[3-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]cyclobutyl]acetonitrile;5-[1-(azetidin-3-yl)pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine;5-[1-[1-(cyclopropylmethyl)azetidin-3-yl]pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 157375392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).