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

C33H36N10O4 — CID 171758425

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

N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 171758425) has the molecular formula C33H36N10O4 and a molecular weight of 636.72 g/mol. Its IUPAC name is N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 171758425
• Molecular Formula: C33H36N10O4
• Molecular Weight: 636.72 g/mol
• Exact Mass: 636.29
• IUPAC Name: N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc(C2CC2C(=O)Nc2cc(NC(C)c3cn4cc(C5CC5)cc(N5CC(=O)N(CCO)C5=O)c4n3)nc(C3CC3)n2)n1
• InChI: InChI=1S/C33H36N10O4/c1-17-7-8-34-30(35-17)22-12-23(22)32(46)40-27-13-26(38-29(39-27)20-5-6-20)36-18(2)24-15-41-14-21(19-3-4-19)11-25(31(41)37-24)43-16-28(45)42(9-10-44)33(43)47/h7-8,11,13-15,18-20,22-23,44H,3-6,9-10,12,16H2,1-2H3,(H2,36,38,39,40,46)
• InChIKey: WGCGLBKNOXFOFE-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 170.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.72
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
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-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 171758425) is N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

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

The canonical SMILES for N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(NC(C)c3cn4cc(C5CC5)cc(N5CC(=O)N(CCO)C5=O)c4n3)nc(C3CC3)n2)n1.

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

The InChIKey is WGCGLBKNOXFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N10O4/c1-17-7-8-34-30(35-17)22-12-23(22)32(46)40-27-13-26(38-29(39-27)20-5-6-20)36-18(2)24-15-41-14-21(19-3-4-19)11-25(31(41)37-24)43-16-28(45)42(9-10-44)33(43)47/h7-8,11,13-15,18-20,22-23,44H,3-6,9-10,12,16H2,1-2H3,(H2,36,38,39,40,46).

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

N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 636.72 g/mol, XLogP of 3.65, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclopropyl-6-[1-[6-cyclopropyl-8-[3-(2-hydroxyethyl)-2,4-dioxoimidazolidin-1-yl]imidazo[1,2-a]pyridin-2-yl]ethylamino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).