2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide

C25H31N7O2 — CID 172966903

About 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide (PubChem CID 172966903) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide
• PubChem CID: 172966903
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CC(C(=O)NC2CCNCC2)=C3)c1
• InChI: InChI=1S/C25H31N7O2/c1-17-3-2-4-18(13-17)16-27-31-25-29-22-15-19(24(33)28-20-5-7-26-8-6-20)14-21(22)23(30-25)32-9-11-34-12-10-32/h2-4,13,15-16,20,26H,5-12,14H2,1H3,(H,28,33)(H,29,30,31)/b27-16+
• InChIKey: CDGLZPZUGSICEP-JVWAILMASA-N
• XLogP: 1.88
• TPSA: 103.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide?

The IUPAC name of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide (CID 172966903) is 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide is Cc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CC(C(=O)NC2CCNCC2)=C3)c1.

What is the InChIKey of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide?

The InChIKey is CDGLZPZUGSICEP-JVWAILMASA-N. The full InChI is InChI=1S/C25H31N7O2/c1-17-3-2-4-18(13-17)16-27-31-25-29-22-15-19(24(33)28-20-5-7-26-8-6-20)14-21(22)23(30-25)32-9-11-34-12-10-32/h2-4,13,15-16,20,26H,5-12,14H2,1H3,(H,28,33)(H,29,30,31)/b27-16+.

What are the key properties of 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide?

2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-N-piperidin-4-yl-5H-cyclopenta[d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172966903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).