1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

C30H34ClN5OS — CID 16747157

About 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (PubChem CID 16747157) has the molecular formula C30H34ClN5OS and a molecular weight of 548.16 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
• PubChem CID: 16747157
• Molecular Formula: C30H34ClN5OS
• Molecular Weight: 548.16 g/mol
• Exact Mass: 547.22
• IUPAC Name: 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(C(=O)Cn5cnc6cccnc65)CC4)sc3Cl)ccc21
• InChI: InChI=1S/C30H34ClN5OS/c1-29(2)11-12-30(3,4)22-16-20(7-8-21(22)29)25-26(31)38-28(34-25)19-9-14-35(15-10-19)24(37)17-36-18-33-23-6-5-13-32-27(23)36/h5-8,13,16,18-19H,9-12,14-15,17H2,1-4H3
• InChIKey: CCBNGOJCAZEUBW-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.16
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?

The IUPAC name of 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (CID 16747157) is 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.

What is the SMILES notation for 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?

The canonical SMILES for 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is CC1(C)CCC(C)(C)c2cc(-c3nc(C4CCN(C(=O)Cn5cnc6cccnc65)CC4)sc3Cl)ccc21.

What is the InChIKey of 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?

The InChIKey is CCBNGOJCAZEUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN5OS/c1-29(2)11-12-30(3,4)22-16-20(7-8-21(22)29)25-26(31)38-28(34-25)19-9-14-35(15-10-19)24(37)17-36-18-33-23-6-5-13-32-27(23)36/h5-8,13,16,18-19H,9-12,14-15,17H2,1-4H3.

What are the key properties of 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?

1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone has a molecular weight of 548.16 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-chloro-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is sourced from PubChem (CID 16747157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).