2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C33H32FN7OS — CID 165031516

About 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 165031516) has the molecular formula C33H32FN7OS and a molecular weight of 593.73 g/mol. Its IUPAC name is 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 165031516
• Molecular Formula: C33H32FN7OS
• Molecular Weight: 593.73 g/mol
• Exact Mass: 593.24
• IUPAC Name: 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2ccc(-c3ccc(N4CC(CC5(CO)CC5)C4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C33H32FN7OS/c1-3-26-31(39(2)32-38-30(27(15-35)43-32)22-4-8-25(34)9-5-22)41-19-24(7-11-29(41)37-26)23-6-10-28(36-16-23)40-17-21(18-40)14-33(20-42)12-13-33/h4-11,16,19,21,42H,3,12-14,17-18,20H2,1-2H3
• InChIKey: SGXHNIOURYKUDF-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 93.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.73
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 165031516) is 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]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-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2ccc(-c3ccc(N4CC(CC5(CO)CC5)C4)nc3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is SGXHNIOURYKUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN7OS/c1-3-26-31(39(2)32-38-30(27(15-35)43-32)22-4-8-25(34)9-5-22)41-19-24(7-11-29(41)37-26)23-6-10-28(36-16-23)40-17-21(18-40)14-33(20-42)12-13-33/h4-11,16,19,21,42H,3,12-14,17-18,20H2,1-2H3.

What are the key properties of 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 593.73 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-ethyl-6-[6-[3-[[1-(hydroxymethyl)cyclopropyl]methyl]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 165031516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).