N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C25H31N5O4 — CID 167142934

About N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 167142934) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 167142934
• Molecular Formula: C25H31N5O4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.24
• IUPAC Name: N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
• SMILES: C/C(=C\C=C/N(C=O)C1CC1)NC(=O)c1cn2cc(C34COC(C)(C3)C4)nc2nc1OC(C)C
• InChI: InChI=1S/C25H31N5O4/c1-16(2)34-22-19(21(32)26-17(3)6-5-9-29(15-31)18-7-8-18)10-30-11-20(27-23(30)28-22)25-12-24(4,13-25)33-14-25/h5-6,9-11,15-16,18H,7-8,12-14H2,1-4H3,(H,26,32)/b9-5-,17-6+
• InChIKey: DDGNOMSNVLMSCE-JKECTIFDSA-N
• XLogP: 3.11
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 167142934) is N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is C/C(=C\C=C/N(C=O)C1CC1)NC(=O)c1cn2cc(C34COC(C)(C3)C4)nc2nc1OC(C)C.

What is the InChIKey of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is DDGNOMSNVLMSCE-JKECTIFDSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-16(2)34-22-19(21(32)26-17(3)6-5-9-29(15-31)18-7-8-18)10-30-11-20(27-23(30)28-22)25-12-24(4,13-25)33-14-25/h5-6,9-11,15-16,18H,7-8,12-14H2,1-4H3,(H,26,32)/b9-5-,17-6+.

What are the key properties of N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?

N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2E,4Z)-5-[cyclopropyl(formyl)amino]penta-2,4-dien-2-yl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167142934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).