N-[6-[[(1R)-1-[6-methoxy-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

C27H28N10O4 — CID 171758615

About N-[6-[[(1R)-1-[6-methoxy-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-methoxy-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 171758615) has the molecular formula C27H28N10O4 and a molecular weight of 556.59 g/mol. Its IUPAC name is N-[6-[[(1R)-1-[6-methoxy-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-methoxy-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: 171758615
• Molecular Formula: C27H28N10O4
• Molecular Weight: 556.59 g/mol
• Exact Mass: 556.23
• IUPAC Name: N-[6-[[(1R)-1-[6-methoxy-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: COc1cc(N2CC(=O)N(C)C2=O)c2nc([C@@H](C)Nc3cc(NC(=O)C4CC4c4nccc(C)n4)ncn3)cn2c1
• InChI: InChI=1S/C27H28N10O4/c1-14-5-6-28-24(31-14)17-8-18(17)26(39)34-22-9-21(29-13-30-22)32-15(2)19-11-36-10-16(41-4)7-20(25(36)33-19)37-12-23(38)35(3)27(37)40/h5-7,9-11,13,15,17-18H,8,12H2,1-4H3,(H2,29,30,32,34,39)/t15-,17?,18?/m1/s1
• InChIKey: CVMRWMGNRWJDMK-FAEJEUNOSA-N
• XLogP: 2.55
• TPSA: 159.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.59
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-methoxy-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-methoxy-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 171758615) is N-[6-[[(1R)-1-[6-methoxy-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-methoxy-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-methoxy-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 COc1cc(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-methoxy-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 CVMRWMGNRWJDMK-FAEJEUNOSA-N. The full InChI is InChI=1S/C27H28N10O4/c1-14-5-6-28-24(31-14)17-8-18(17)26(39)34-22-9-21(29-13-30-22)32-15(2)19-11-36-10-16(41-4)7-20(25(36)33-19)37-12-23(38)35(3)27(37)40/h5-7,9-11,13,15,17-18H,8,12H2,1-4H3,(H2,29,30,32,34,39)/t15-,17?,18?/m1/s1.

What are the key properties of N-[6-[[(1R)-1-[6-methoxy-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-methoxy-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 556.59 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(1R)-1-[6-methoxy-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 171758615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).