2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide

C24H29N7O3S2 — CID 137452661

About 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide

2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137452661) has the molecular formula C24H29N7O3S2 and a molecular weight of 527.68 g/mol. Its IUPAC name is 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 137452661
• Molecular Formula: C24H29N7O3S2
• Molecular Weight: 527.68 g/mol
• Exact Mass: 527.18
• IUPAC Name: 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
• SMILES: CN(C)CCNC(=O)c1csc(-c2csc(Cn3c(CCCN)c4c(cc3=O)C3(CC3)NC4=O)n2)n1
• InChI: InChI=1S/C24H29N7O3S2/c1-30(2)9-8-26-21(33)15-12-36-23(28-15)16-13-35-18(27-16)11-31-17(4-3-7-25)20-14(10-19(31)32)24(5-6-24)29-22(20)34/h10,12-13H,3-9,11,25H2,1-2H3,(H,26,33)(H,29,34)
• InChIKey: QIGUSESZKXNDSP-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 135.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.68
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 137452661) is 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is CN(C)CCNC(=O)c1csc(-c2csc(Cn3c(CCCN)c4c(cc3=O)C3(CC3)NC4=O)n2)n1.

What is the InChIKey of 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?

The InChIKey is QIGUSESZKXNDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S2/c1-30(2)9-8-26-21(33)15-12-36-23(28-15)16-13-35-18(27-16)11-31-17(4-3-7-25)20-14(10-19(31)32)24(5-6-24)29-22(20)34/h10,12-13H,3-9,11,25H2,1-2H3,(H,26,33)(H,29,34).

What are the key properties of 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide?

2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 527.68 g/mol, XLogP of 1.39, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-(3-aminopropyl)-3,6-dioxospiro[2H-pyrrolo[3,4-c]pyridine-1,1'-cyclopropane]-5-yl]methyl]-1,3-thiazol-4-yl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137452661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).