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

C32H33FN10S — CID 163239543

IUPAC2-[[6-[2-[4-(azetidin-3-ylamino)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(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H33FN10S/c1-3-26-30(41(2)32-40-29(27(14-34)44-32)20-4-7-23(33)8-5-20)43-19-21(6-9-28(43)39-26)22-15-36-31(37-16-22)42-12-10-24(11-13-42)38-25-17-35-18-25/h4-9,15-16,19,24-25,35,38H,3,10-13,17-18H2,1-2H3
InChIKeyYRMOREWDEAGXTQ-UHFFFAOYSA-N
MW608.75 g/mol
LogP4.79
Rot. Bonds8

About 2-[[6-[2-[4-(azetidin-3-ylamino)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-(azetidin-3-ylamino)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 163239543) has the molecular formula C32H33FN10S and a molecular weight of 608.75 g/mol. Its IUPAC name is 2-[[6-[2-[4-(azetidin-3-ylamino)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-(azetidin-3-ylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID163239543
Molecular FormulaC32H33FN10S
Molecular Weight608.75 g/mol
Exact Mass608.26
IUPAC Name2-[[6-[2-[4-(azetidin-3-ylamino)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(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C32H33FN10S/c1-3-26-30(41(2)32-40-29(27(14-34)44-32)20-4-7-23(33)8-5-20)43-19-21(6-9-28(43)39-26)22-15-36-31(37-16-22)42-12-10-24(11-13-42)38-25-17-35-18-25/h4-9,15-16,19,24-25,35,38H,3,10-13,17-18H2,1-2H3
InChIKeyYRMOREWDEAGXTQ-UHFFFAOYSA-N
XLogP4.79
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[[6-[2-[4-(azetidin-3-ylamino)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-(azetidin-3-ylamino)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-(azetidin-3-ylamino)piperidin-1-yl]pyrimidin-5-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 163239543) is 2-[[6-[2-[4-(azetidin-3-ylamino)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-(azetidin-3-ylamino)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-(azetidin-3-ylamino)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(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[[6-[2-[4-(azetidin-3-ylamino)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 YRMOREWDEAGXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN10S/c1-3-26-30(41(2)32-40-29(27(14-34)44-32)20-4-7-23(33)8-5-20)43-19-21(6-9-28(43)39-26)22-15-36-31(37-16-22)42-12-10-24(11-13-42)38-25-17-35-18-25/h4-9,15-16,19,24-25,35,38H,3,10-13,17-18H2,1-2H3.
What are the key properties of 2-[[6-[2-[4-(azetidin-3-ylamino)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-(azetidin-3-ylamino)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 608.75 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[4-(azetidin-3-ylamino)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 163239543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).