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

C30H30N10O3 — CID 165133320

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

trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165133320) has the molecular formula C30H30N10O3 and a molecular weight of 578.64 g/mol. Its IUPAC name is trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 165133320
• Molecular Formula: C30H30N10O3
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.25
• IUPAC Name: trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C6CC6)C5=O)c4n3)ncn2)n1
• InChI: InChI=1S/C30H30N10O3/c1-16-6-7-31-27(35-16)21-9-22(21)29(42)37-25-10-24(33-15-34-25)32-11-19-13-38-12-18(17-2-3-17)8-23(28(38)36-19)39-14-26(41)40(30(39)43)20-4-5-20/h6-8,10,12-13,15,17,20-22H,2-5,9,11,14H2,1H3,(H2,32,33,34,37,42)/t21-,22-/m0/s1
• InChIKey: HJBNWCUHIRHCAG-VXKWHMMOSA-N
• XLogP: 3.39
• TPSA: 150.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	3.39
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-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165133320) is trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

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

The canonical SMILES for trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(NCc3cn4cc(C5CC5)cc(N5CC(=O)N(C6CC6)C5=O)c4n3)ncn2)n1.

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

The InChIKey is HJBNWCUHIRHCAG-VXKWHMMOSA-N. The full InChI is InChI=1S/C30H30N10O3/c1-16-6-7-31-27(35-16)21-9-22(21)29(42)37-25-10-24(33-15-34-25)32-11-19-13-38-12-18(17-2-3-17)8-23(28(38)36-19)39-14-26(41)40(30(39)43)20-4-5-20/h6-8,10,12-13,15,17,20-22H,2-5,9,11,14H2,1H3,(H2,32,33,34,37,42)/t21-,22-/m0/s1.

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

trans-(1S,2S)-N-[6-[[6-cyclopropyl-8-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 578.64 g/mol, XLogP of 3.39, 9 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-cyclopropyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165133320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).