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

C69H73Cl6F3N16O4 — CID 159035196

IUPAC2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1.CC(Oc1cc(-c2cnn(C3CCN(CC#N)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CCN1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1
InChIInChI=1S/C23H23Cl2FN6O.C23H24Cl2FN5O2.C23H26Cl2FN5O/c1-14(21-18(24)2-3-19(26)22(21)25)33-20-10-15(11-29-23(20)28)16-12-30-32(13-16)17-4-7-31(8-5-17)9-6-27;1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)27)16-11-29-31(12-16)17-5-7-30(8-6-17)14(2)32;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/h2-3,10-14,17H,4-5,7-9H2,1H3,(H2,28,29);3-4,9-13,17H,5-8H2,1-2H3,(H2,27,28);4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28)
InChIKeyJVJJAHIOBHOPAL-UHFFFAOYSA-N
MW1460.16 g/mol
LogP16.34
Rot. Bonds17

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

2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 159035196) has the molecular formula C69H73Cl6F3N16O4 and a molecular weight of 1460.16 g/mol. Its IUPAC name is 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID159035196
Molecular FormulaC69H73Cl6F3N16O4
Molecular Weight1460.16 g/mol
Exact Mass1456.41
IUPAC Name2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1.CC(Oc1cc(-c2cnn(C3CCN(CC#N)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.CCN1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1
InChIInChI=1S/C23H23Cl2FN6O.C23H24Cl2FN5O2.C23H26Cl2FN5O/c1-14(21-18(24)2-3-19(26)22(21)25)33-20-10-15(11-29-23(20)28)16-12-30-32(13-16)17-4-7-31(8-5-17)9-6-27;1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)27)16-11-29-31(12-16)17-5-7-30(8-6-17)14(2)32;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/h2-3,10-14,17H,4-5,7-9H2,1H3,(H2,28,29);3-4,9-13,17H,5-8H2,1-2H3,(H2,27,28);4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28)
InChIKeyJVJJAHIOBHOPAL-UHFFFAOYSA-N
XLogP16.34
TPSA248.46 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.16
LogP ≤ 516.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-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 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine (CID 159035196) is 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;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 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine is CC(=O)N1CCC(n2cc(-c3cnc(N)c(OC(C)c4c(Cl)ccc(F)c4Cl)c3)cn2)CC1.CC(Oc1cc(-c2cnn(C3CCN(CC#N)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 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is JVJJAHIOBHOPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN6O.C23H24Cl2FN5O2.C23H26Cl2FN5O/c1-14(21-18(24)2-3-19(26)22(21)25)33-20-10-15(11-29-23(20)28)16-12-30-32(13-16)17-4-7-31(8-5-17)9-6-27;1-13(21-18(24)3-4-19(26)22(21)25)33-20-9-15(10-28-23(20)27)16-11-29-31(12-16)17-5-7-30(8-6-17)14(2)32;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/h2-3,10-14,17H,4-5,7-9H2,1H3,(H2,28,29);3-4,9-13,17H,5-8H2,1-2H3,(H2,27,28);4-5,10-14,17H,3,6-9H2,1-2H3,(H2,27,28).
What are the key properties of 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine?
2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;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 1460.16 g/mol, XLogP of 16.34, 17 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]acetonitrile;1-[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethanone;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 159035196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).