trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C28H27N9O4 — CID 165132019

About trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165132019) has the molecular formula C28H27N9O4 and a molecular weight of 553.58 g/mol. Its IUPAC name is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 165132019
• Molecular Formula: C28H27N9O4
• Molecular Weight: 553.58 g/mol
• Exact Mass: 553.22
• IUPAC Name: trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)cnn2)n1
• InChI: InChI=1S/C28H27N9O4/c1-15-5-6-29-25(31-15)20-9-21(20)27(39)33-23-8-19(10-30-34-23)41-14-18-12-36-11-17(16-3-4-16)7-22(26(36)32-18)37-13-24(38)35(2)28(37)40/h5-8,10-12,16,20-21H,3-4,9,13-14H2,1-2H3,(H,33,34,39)/t20-,21-/m0/s1
• InChIKey: SOAPGKNIPQJZCJ-SFTDATJTSA-N
• XLogP: 2.82
• TPSA: 147.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.58
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
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-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165132019) is trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cc(N5CC(=O)N(C)C5=O)c4n3)cnn2)n1.

What is the InChIKey of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is SOAPGKNIPQJZCJ-SFTDATJTSA-N. The full InChI is InChI=1S/C28H27N9O4/c1-15-5-6-29-25(31-15)20-9-21(20)27(39)33-23-8-19(10-30-34-23)41-14-18-12-36-11-17(16-3-4-16)7-22(26(36)32-18)37-13-24(38)35(2)28(37)40/h5-8,10-12,16,20-21H,3-4,9,13-14H2,1-2H3,(H,33,34,39)/t20-,21-/m0/s1.

What are the key properties of trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 553.58 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[5-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methoxy]pyridazin-3-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165132019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).