3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine

C65H65Cl6F3N12O6 — CID 161074569

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CC3CC4CCC3CO4)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C24H25Cl2FN4O2.C21H21Cl2FN4O2.C20H19Cl2FN4O2/c1-13(22-19(25)4-5-20(27)23(22)26)33-21-7-15(8-29-24(21)28)17-9-30-31(11-17)10-16-6-18-3-2-14(16)12-32-18;1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-26-21(18)25)14-10-27-28(11-14)15-4-6-29-7-5-15;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-25-20(17)24)13-8-26-27(9-13)14-4-5-28-10-14/h4-5,7-9,11,13-14,16,18H,2-3,6,10,12H2,1H3,(H2,28,29);2-3,8-12,15H,4-7H2,1H3,(H2,25,26);2-3,6-9,11,14H,4-5,10H2,1H3,(H2,24,25)
InChIKeyUFCCIUAEGSTZGM-UHFFFAOYSA-N
MW1380.02 g/mol
LogP16.47
Rot. Bonds16

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 161074569) has the molecular formula C65H65Cl6F3N12O6 and a molecular weight of 1380.02 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID161074569
Molecular FormulaC65H65Cl6F3N12O6
Molecular Weight1380.02 g/mol
Exact Mass1376.32
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CC3CC4CCC3CO4)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C24H25Cl2FN4O2.C21H21Cl2FN4O2.C20H19Cl2FN4O2/c1-13(22-19(25)4-5-20(27)23(22)26)33-21-7-15(8-29-24(21)28)17-9-30-31(11-17)10-16-6-18-3-2-14(16)12-32-18;1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-26-21(18)25)14-10-27-28(11-14)15-4-6-29-7-5-15;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-25-20(17)24)13-8-26-27(9-13)14-4-5-28-10-14/h4-5,7-9,11,13-14,16,18H,2-3,6,10,12H2,1H3,(H2,28,29);2-3,8-12,15H,4-7H2,1H3,(H2,25,26);2-3,6-9,11,14H,4-5,10H2,1H3,(H2,24,25)
InChIKeyUFCCIUAEGSTZGM-UHFFFAOYSA-N
XLogP16.47
TPSA225.57 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.02
LogP ≤ 516.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

Crizotinib
CID 11626560
3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 11597571
(S)-Crizotinib
CID 56671814
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-1-ium-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72199381
IR-Crizotinib
CID 155521146
3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-[1-(tetrahydro-pyran-4-yl)-1H-pyrazol-4-yl]-pyridin-2-ylamine
CID 11612136
3-[1-(2,6-Dichloro-3-fluorophenyl)propoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123263625
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146185126
3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine
CID 146185191
3-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-1-ium-4-ylpyrazol-4-yl)pyridin-2-amine
CID 117071753
3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 156009790
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-[1-(2-(18F)fluoroethyl)piperidin-4-yl]pyrazol-4-yl]pyridin-2-amine
CID 155549513

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine (CID 161074569) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine is CC(Oc1cc(-c2cnn(C3CCOC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CC(Oc1cc(-c2cnn(CC3CC4CCC3CO4)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is UFCCIUAEGSTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O2.C21H21Cl2FN4O2.C20H19Cl2FN4O2/c1-13(22-19(25)4-5-20(27)23(22)26)33-21-7-15(8-29-24(21)28)17-9-30-31(11-17)10-16-6-18-3-2-14(16)12-32-18;1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-26-21(18)25)14-10-27-28(11-14)15-4-6-29-7-5-15;1-11(18-15(21)2-3-16(23)19(18)22)29-17-6-12(7-25-20(17)24)13-8-26-27(9-13)14-4-5-28-10-14/h4-5,7-9,11,13-14,16,18H,2-3,6,10,12H2,1H3,(H2,28,29);2-3,8-12,15H,4-7H2,1H3,(H2,25,26);2-3,6-9,11,14H,4-5,10H2,1H3,(H2,24,25).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 1380.02 g/mol, XLogP of 16.47, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-oxabicyclo[2.2.2]octan-5-ylmethyl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(oxolan-3-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 161074569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).