2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C69H68F2N18O2S2 — CID 163239588

IUPAC2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCC(c6cc(-c7nc(N(C)c8c(CC)nc9ccc(-c%10cnc(C%11CCN(CC(=O)N%12CCC%12)CC%11)nc%10)cn89)sc7C#N)ccc6F)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C69H68F2N18O2S2/c1-5-54-66(82(3)68-80-62(56(31-72)92-68)42-8-13-51(70)14-9-42)88-38-46(11-16-58(88)78-54)49-35-76-65(77-36-49)44-20-27-85(28-21-44)41-61(91)87-29-22-48(37-87)52-30-45(10-15-53(52)71)63-57(32-73)93-69(81-63)83(4)67-55(6-2)79-59-17-12-47(39-89(59)67)50-33-74-64(75-34-50)43-18-25-84(26-19-43)40-60(90)86-23-7-24-86/h8-17,30,33-36,38-39,43-44,48H,5-7,18-29,37,40-41H2,1-4H3
InChIKeyVQEIBLQOGLXJAD-UHFFFAOYSA-N
MW1283.56 g/mol
LogP11.43
Rot. Bonds17

About 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239588) has the molecular formula C69H68F2N18O2S2 and a molecular weight of 1283.56 g/mol. Its IUPAC name is 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239588
Molecular FormulaC69H68F2N18O2S2
Molecular Weight1283.56 g/mol
Exact Mass1282.52
IUPAC Name2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCC(c6cc(-c7nc(N(C)c8c(CC)nc9ccc(-c%10cnc(C%11CCN(CC(=O)N%12CCC%12)CC%11)nc%10)cn89)sc7C#N)ccc6F)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C69H68F2N18O2S2/c1-5-54-66(82(3)68-80-62(56(31-72)92-68)42-8-13-51(70)14-9-42)88-38-46(11-16-58(88)78-54)49-35-76-65(77-36-49)44-20-27-85(28-21-44)41-61(91)87-29-22-48(37-87)52-30-45(10-15-53(52)71)63-57(32-73)93-69(81-63)83(4)67-55(6-2)79-59-17-12-47(39-89(59)67)50-33-74-64(75-34-50)43-18-25-84(26-19-43)40-60(90)86-23-7-24-86/h8-17,30,33-36,38-39,43-44,48H,5-7,18-29,37,40-41H2,1-4H3
InChIKeyVQEIBLQOGLXJAD-UHFFFAOYSA-N
XLogP11.43
TPSA213.10 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.56
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile 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-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239588) is 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCC(c6cc(-c7nc(N(C)c8c(CC)nc9ccc(-c%10cnc(C%11CCN(CC(=O)N%12CCC%12)CC%11)nc%10)cn89)sc7C#N)ccc6F)C5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is VQEIBLQOGLXJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H68F2N18O2S2/c1-5-54-66(82(3)68-80-62(56(31-72)92-68)42-8-13-51(70)14-9-42)88-38-46(11-16-58(88)78-54)49-35-76-65(77-36-49)44-20-27-85(28-21-44)41-61(91)87-29-22-48(37-87)52-30-45(10-15-53(52)71)63-57(32-73)93-69(81-63)83(4)67-55(6-2)79-59-17-12-47(39-89(59)67)50-33-74-64(75-34-50)43-18-25-84(26-19-43)40-60(90)86-23-7-24-86/h8-17,30,33-36,38-39,43-44,48H,5-7,18-29,37,40-41H2,1-4H3.
What are the key properties of 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 1283.56 g/mol, XLogP of 11.43, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[1-[2-[3-[5-[2-[[6-[2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-5-cyano-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidin-1-yl]-2-oxoethyl]piperidin-4-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163239588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).