2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C90H116N22O13 — CID 159694330

About 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 159694330) has the molecular formula C90H116N22O13 and a molecular weight of 1714.06 g/mol. Its IUPAC name is 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
• PubChem CID: 159694330
• Molecular Formula: C90H116N22O13
• Molecular Weight: 1714.06 g/mol
• Exact Mass: 1712.91
• IUPAC Name: 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
• SMILES: CCCOCCOCCOCCn1cc(-c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)nn1.Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCOCCOCCC(=O)NCCC5CCCN5C)nn4)cc3)c2n1.Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCOCCOCCC(=O)NCCN5CCOCC5)nn4)cc3)c2n1
• InChI: InChI=1S/C32H42N8O4.C31H40N8O5.C27H34N6O4/c1-23-21-24(2)40-15-11-28(31(40)34-23)32(42)35-26-8-6-25(7-9-26)29-22-39(37-36-29)16-18-44-20-19-43-17-12-30(41)33-13-10-27-5-4-14-38(27)3;1-23-21-24(2)39-10-7-27(30(39)33-23)31(41)34-26-5-3-25(4-6-26)28-22-38(36-35-28)14-18-44-20-19-42-15-8-29(40)32-9-11-37-12-16-43-17-13-37;1-4-12-35-14-16-37-17-15-36-13-11-32-19-25(30-31-32)22-5-7-23(8-6-22)29-27(34)24-9-10-33-21(3)18-20(2)28-26(24)33/h6-9,11,15,21-22,27H,4-5,10,12-14,16-20H2,1-3H3,(H,33,41)(H,35,42);3-7,10,21-22H,8-9,11-20H2,1-2H3,(H,32,40)(H,34,41);5-10,18-19H,4,11-17H2,1-3H3,(H,29,34)
• InChIKey: MWUWLRXCNILSOT-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 369.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 44
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1714.06
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The IUPAC name of 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 159694330) is 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

What is the SMILES notation for 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The canonical SMILES for 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is CCCOCCOCCOCCn1cc(-c2ccc(NC(=O)c3ccn4c(C)cc(C)nc34)cc2)nn1.Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCOCCOCCC(=O)NCCC5CCCN5C)nn4)cc3)c2n1.Cc1cc(C)n2ccc(C(=O)Nc3ccc(-c4cn(CCOCCOCCC(=O)NCCN5CCOCC5)nn4)cc3)c2n1.

What is the InChIKey of 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The InChIKey is MWUWLRXCNILSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O4.C31H40N8O5.C27H34N6O4/c1-23-21-24(2)40-15-11-28(31(40)34-23)32(42)35-26-8-6-25(7-9-26)29-22-39(37-36-29)16-18-44-20-19-43-17-12-30(41)33-13-10-27-5-4-14-38(27)3;1-23-21-24(2)39-10-7-27(30(39)33-23)31(41)34-26-5-3-25(4-6-26)28-22-38(36-35-28)14-18-44-20-19-42-15-8-29(40)32-9-11-37-12-16-43-17-13-37;1-4-12-35-14-16-37-17-15-36-13-11-32-19-25(30-31-32)22-5-7-23(8-6-22)29-27(34)24-9-10-33-21(3)18-20(2)28-26(24)33/h6-9,11,15,21-22,27H,4-5,10,12-14,16-20H2,1-3H3,(H,33,41)(H,35,42);3-7,10,21-22H,8-9,11-20H2,1-2H3,(H,32,40)(H,34,41);5-10,18-19H,4,11-17H2,1-3H3,(H,29,34).

What are the key properties of 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 1714.06 g/mol, XLogP of 9.74, 44 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[4-[1-[2-[2-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-[3-(2-morpholin-4-ylethylamino)-3-oxopropoxy]ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-[4-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]phenyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 159694330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).