2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C32H32FN9S — CID 163239450

IUPAC2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(N4CCC(NC5CC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H32FN9S/c1-3-26-30(40(2)32-39-29(27(16-34)43-32)20-4-7-23(33)8-5-20)42-19-21(6-11-28(42)38-26)22-17-35-31(36-18-22)41-14-12-25(13-15-41)37-24-9-10-24/h4-8,11,17-19,24-25,37H,3,9-10,12-15H2,1-2H3
InChIKeySXEFPHFOFDNCOL-UHFFFAOYSA-N
MW593.74 g/mol
LogP5.98
Rot. Bonds8

About 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 163239450) has the molecular formula C32H32FN9S and a molecular weight of 593.74 g/mol. Its IUPAC name is 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-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-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239450
Molecular FormulaC32H32FN9S
Molecular Weight593.74 g/mol
Exact Mass593.25
IUPAC Name2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2ccc(-c3cnc(N4CCC(NC5CC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H32FN9S/c1-3-26-30(40(2)32-39-29(27(16-34)43-32)20-4-7-23(33)8-5-20)42-19-21(6-11-28(42)38-26)22-17-35-31(36-18-22)41-14-12-25(13-15-41)37-24-9-10-24/h4-8,11,17-19,24-25,37H,3,9-10,12-15H2,1-2H3
InChIKeySXEFPHFOFDNCOL-UHFFFAOYSA-N
XLogP5.98
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.74
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-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-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239450) is 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-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-[4-(cyclopropylamino)piperidin-1-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-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3cnc(N4CCC(NC5CC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is SXEFPHFOFDNCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN9S/c1-3-26-30(40(2)32-39-29(27(16-34)43-32)20-4-7-23(33)8-5-20)42-19-21(6-11-28(42)38-26)22-17-35-31(36-18-22)41-14-12-25(13-15-41)37-24-9-10-24/h4-8,11,17-19,24-25,37H,3,9-10,12-15H2,1-2H3.
What are the key properties of 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[[6-[2-[4-(cyclopropylamino)piperidin-1-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 593.74 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[4-(cyclopropylamino)piperidin-1-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 163239450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).