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;hydrochloride

C32H34ClFN10S — CID 164728770

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;hydrochloride
SMILESCCc1nc2ccc(-c3cnc(N4CCC(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl
InChIInChI=1S/C32H33FN10S.ClH/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;1H
InChIKeyKOTYOSBYSPFIEB-UHFFFAOYSA-N
MW645.21 g/mol
LogP5.21
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;hydrochloride

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;hydrochloride (PubChem CID 164728770) has the molecular formula C32H34ClFN10S and a molecular weight of 645.21 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;hydrochloride.

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;hydrochloride
PubChem CID164728770
Molecular FormulaC32H34ClFN10S
Molecular Weight645.21 g/mol
Exact Mass644.24
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;hydrochloride
SMILESCCc1nc2ccc(-c3cnc(N4CCC(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl
InChIInChI=1S/C32H33FN10S.ClH/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;1H
InChIKeyKOTYOSBYSPFIEB-UHFFFAOYSA-N
XLogP5.21
TPSA110.30 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500645.21
LogP ≤ 55.21
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;hydrochloride 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;hydrochloride?
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;hydrochloride (CID 164728770) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCc1nc2ccc(-c3cnc(N4CCC(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl.
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;hydrochloride?
The InChIKey is KOTYOSBYSPFIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN10S.ClH/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;1H.
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;hydrochloride?
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;hydrochloride has a molecular weight of 645.21 g/mol, XLogP of 5.21, 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;hydrochloride is sourced from PubChem (CID 164728770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).