N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide

C28H30N10O3S — CID 170774654

About N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide

N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 170774654) has the molecular formula C28H30N10O3S and a molecular weight of 586.68 g/mol. Its IUPAC name is N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide
• PubChem CID: 170774654
• Molecular Formula: C28H30N10O3S
• Molecular Weight: 586.68 g/mol
• Exact Mass: 586.22
• IUPAC Name: N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide
• SMILES: Cc1nc(NC(=O)C2CC2c2nsc(C)n2)cc(N[C@H](C)c2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)n1
• InChI: InChI=1S/C28H30N10O3S/c1-13(29-22-9-23(31-14(2)30-22)34-27(40)19-8-18(19)25-32-15(3)42-35-25)20-11-37-10-17(16-5-6-16)7-21(26(37)33-20)38-12-24(39)36(4)28(38)41/h7,9-11,13,16,18-19H,5-6,8,12H2,1-4H3,(H2,29,30,31,34,40)/t13-,18?,19?/m1/s1
• InChIKey: FSIOLUUAUBNBRK-XYJCDUHRSA-N
• XLogP: 3.78
• TPSA: 150.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.68
LogP ≤ 5	3.78
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-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide (CID 170774654) is N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide is Cc1nc(NC(=O)C2CC2c2nsc(C)n2)cc(N[C@H](C)c2cn3cc(C4CC4)cc(N4CC(=O)N(C)C4=O)c3n2)n1.

What is the InChIKey of N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide?

The InChIKey is FSIOLUUAUBNBRK-XYJCDUHRSA-N. The full InChI is InChI=1S/C28H30N10O3S/c1-13(29-22-9-23(31-14(2)30-22)34-27(40)19-8-18(19)25-32-15(3)42-35-25)20-11-37-10-17(16-5-6-16)7-21(26(37)33-20)38-12-24(39)36(4)28(38)41/h7,9-11,13,16,18-19H,5-6,8,12H2,1-4H3,(H2,29,30,31,34,40)/t13-,18?,19?/m1/s1.

What are the key properties of N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide?

N-[6-[[(1R)-1-[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 586.68 g/mol, XLogP of 3.78, 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-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]ethyl]amino]-2-methylpyrimidin-4-yl]-2-(5-methyl-1,2,4-thiadiazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170774654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).