2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide

C29H38N8O3S — CID 159254217

About 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide

2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide (PubChem CID 159254217) has the molecular formula C29H38N8O3S and a molecular weight of 578.74 g/mol. Its IUPAC name is 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide
• PubChem CID: 159254217
• Molecular Formula: C29H38N8O3S
• Molecular Weight: 578.74 g/mol
• Exact Mass: 578.28
• IUPAC Name: 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide
• SMILES: CC(C)(C)NC(=O)CC1CCN(C(=O)Cc2csc(CC(=O)c3[nH]nc4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CC1
• InChI: InChI=1S/C29H38N8O3S/c1-28(2,3)34-20(39)10-16-6-8-37(9-7-16)22(40)11-18-15-41-21(32-18)12-19(38)25-23-26(36-35-25)24-17(13-29(23,4)5)14-31-27(30)33-24/h14-16H,6-13H2,1-5H3,(H,34,39)(H,35,36)(H2,30,31,33)
• InChIKey: KVRLVFPTIFOEOE-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 159.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.74
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide?

The IUPAC name of 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide (CID 159254217) is 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide.

What is the SMILES notation for 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide?

The canonical SMILES for 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CC1CCN(C(=O)Cc2csc(CC(=O)c3[nH]nc4c3C(C)(C)Cc3cnc(N)nc3-4)n2)CC1.

What is the InChIKey of 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide?

The InChIKey is KVRLVFPTIFOEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O3S/c1-28(2,3)34-20(39)10-16-6-8-37(9-7-16)22(40)11-18-15-41-21(32-18)12-19(38)25-23-26(36-35-25)24-17(13-29(23,4)5)14-31-27(30)33-24/h14-16H,6-13H2,1-5H3,(H,34,39)(H,35,36)(H2,30,31,33).

What are the key properties of 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide?

2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide has a molecular weight of 578.74 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[2-[2-(8-amino-4,4-dimethyl-2,5-dihydropyrazolo[4,3-h]quinazolin-3-yl)-2-oxoethyl]-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]-N-tert-butylacetamide is sourced from PubChem (CID 159254217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).