2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C35H36FN9OS — CID 163239387

IUPAC2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C35H36FN9OS/c1-3-28-34(42(2)35-41-32(29(18-37)47-35)23-6-9-27(36)10-7-23)45-21-25(8-11-30(45)40-28)26-19-38-33(39-20-26)24-12-16-43(17-13-24)22-31(46)44-14-4-5-15-44/h6-11,19-21,24H,3-5,12-17,22H2,1-2H3
InChIKeyNHLBTOAQOPLBQO-UHFFFAOYSA-N
MW649.80 g/mol
LogP6.06
Rot. Bonds8

About 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239387) has the molecular formula C35H36FN9OS and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239387
Molecular FormulaC35H36FN9OS
Molecular Weight649.80 g/mol
Exact Mass649.27
IUPAC Name2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C35H36FN9OS/c1-3-28-34(42(2)35-41-32(29(18-37)47-35)23-6-9-27(36)10-7-23)45-21-25(8-11-30(45)40-28)26-19-38-33(39-20-26)24-12-16-43(17-13-24)22-31(46)44-14-4-5-15-44/h6-11,19-21,24H,3-5,12-17,22H2,1-2H3
InChIKeyNHLBTOAQOPLBQO-UHFFFAOYSA-N
XLogP6.06
TPSA106.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[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-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239387) is 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(C4CCN(CC(=O)N5CCCC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NHLBTOAQOPLBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN9OS/c1-3-28-34(42(2)35-41-32(29(18-37)47-35)23-6-9-27(36)10-7-23)45-21-25(8-11-30(45)40-28)26-19-38-33(39-20-26)24-12-16-43(17-13-24)22-31(46)44-14-4-5-15-44/h6-11,19-21,24H,3-5,12-17,22H2,1-2H3.
What are the key properties of 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 649.80 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-6-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-4-yl]pyrimidin-5-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 163239387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).