N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C28H30N10O3 — CID 171758655

About N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758655) has the molecular formula C28H30N10O3 and a molecular weight of 554.62 g/mol. Its IUPAC name is N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758655
• Molecular Formula: C28H30N10O3
• Molecular Weight: 554.62 g/mol
• Exact Mass: 554.25
• IUPAC Name: N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: CCc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC(=O)C4CC4c4nccc(C)n4)ncn3)cn2c1
• InChI: InChI=1S/C28H30N10O3/c1-5-17-8-21(38-13-24(39)36(4)28(38)41)26-34-20(12-37(26)11-17)16(3)33-22-10-23(31-14-30-22)35-27(40)19-9-18(19)25-29-7-6-15(2)32-25/h6-8,10-12,14,16,18-19H,5,9,13H2,1-4H3,(H2,30,31,33,35,40)/t16-,18?,19?/m1/s1
• InChIKey: OTZIJPCILPTFMM-IPJUCJBFSA-N
• XLogP: 3.10
• TPSA: 150.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.62
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758655) is N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is CCc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC(=O)C4CC4c4nccc(C)n4)ncn3)cn2c1.

What is the InChIKey of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is OTZIJPCILPTFMM-IPJUCJBFSA-N. The full InChI is InChI=1S/C28H30N10O3/c1-5-17-8-21(38-13-24(39)36(4)28(38)41)26-34-20(12-37(26)11-17)16(3)33-22-10-23(31-14-30-22)35-27(40)19-9-18(19)25-29-7-6-15(2)32-25/h6-8,10-12,14,16,18-19H,5,9,13H2,1-4H3,(H2,30,31,33,35,40)/t16-,18?,19?/m1/s1.

What are the key properties of N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 554.62 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(1R)-1-[6-ethyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).