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

C33H35ClFN9S — CID 164728800

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

2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride (PubChem CID 164728800) has the molecular formula C33H35ClFN9S and a molecular weight of 644.22 g/mol. Its IUPAC name is 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride
• PubChem CID: 164728800
• Molecular Formula: C33H35ClFN9S
• Molecular Weight: 644.22 g/mol
• Exact Mass: 643.24
• IUPAC Name: 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride
• SMILES: CCc1nc2ccc(-c3ccc(N4CCC(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl
• InChI: InChI=1S/C33H34FN9S.ClH/c1-3-27-32(41(2)33-40-31(28(16-35)44-33)21-4-8-24(34)9-5-21)43-20-23(7-11-30(43)39-27)22-6-10-29(37-17-22)42-14-12-25(13-15-42)38-26-18-36-19-26;/h4-11,17,20,25-26,36,38H,3,12-15,18-19H2,1-2H3;1H
• InChIKey: RFTNMAOVKAYSON-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 97.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.22
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride?

The IUPAC name of 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride (CID 164728800) is 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-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-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride?

The canonical SMILES for 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride is CCc1nc2ccc(-c3ccc(N4CCC(NC5CNC5)CC4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.Cl.

What is the InChIKey of 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride?

The InChIKey is RFTNMAOVKAYSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN9S.ClH/c1-3-27-32(41(2)33-40-31(28(16-35)44-33)21-4-8-24(34)9-5-21)43-20-23(7-11-30(43)39-27)22-6-10-29(37-17-22)42-14-12-25(13-15-42)38-26-18-36-19-26;/h4-11,17,20,25-26,36,38H,3,12-15,18-19H2,1-2H3;1H.

What are the key properties of 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride?

2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride has a molecular weight of 644.22 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[6-[4-(azetidin-3-ylamino)piperidin-1-yl]-3-pyridinyl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 164728800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).