Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide

C₂₈H₂₈N₁₀O₃ — CID 171758742

About Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide

Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 171758742) has the molecular formula C₂₈H₂₈N₁₀O₃ and a molecular weight of 552.60 g/mol. Its IUPAC name is trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758742
• Molecular Formula: C₂₈H₂₈N₁₀O₃
• Molecular Weight: 552.60 g/mol
• Exact Mass: 552.23
• IUPAC Name: trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
• SMILES: Cc1nccc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1
• InChI: InChI=1S/C28H28N10O3/c1-15-29-6-5-21(33-15)19-8-20(19)27(40)35-24-9-23(31-14-32-24)30-10-18-12-37-11-17(16-3-4-16)7-22(26(37)34-18)38-13-25(39)36(2)28(38)41/h5-7,9,11-12,14,16,19-20H,3-4,8,10,13H2,1-2H3,(H2,30,31,32,35,40)/t19-,20-/m0/s1
• InChIKey: YMFMMRZMQRGAFW-PMACEKPBSA-N
• XLogP: 2.85
• 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	552.60
LogP ≤ 5	2.85
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 Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide?

The IUPAC name of Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide (CID 171758742) is trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide.

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

The canonical SMILES for Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide is Cc1nccc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)ncn2)n1.

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

The InChIKey is YMFMMRZMQRGAFW-PMACEKPBSA-N. The full InChI is InChI=1S/C28H28N10O3/c1-15-29-6-5-21(33-15)19-8-20(19)27(40)35-24-9-23(31-14-32-24)30-10-18-12-37-11-17(16-3-4-16)7-22(26(37)34-18)38-13-25(39)36(2)28(38)41/h5-7,9,11-12,14,16,19-20H,3-4,8,10,13H2,1-2H3,(H2,30,31,32,35,40)/t19-,20-/m0/s1.

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

Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 552.60 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171758742 — identifiers, structure, computed properties (public domain)

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