N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

C27H33N7O3 — CID 166738424

About N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide

N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (PubChem CID 166738424) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
• PubChem CID: 166738424
• Molecular Formula: C27H33N7O3
• Molecular Weight: 503.61 g/mol
• Exact Mass: 503.26
• IUPAC Name: N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide
• SMILES: Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(C(=O)NCCCCN(C)C)cc4n3)c2)c1
• InChI: InChI=1S/C27H33N7O3/c1-19-7-6-8-20(15-19)21-17-29-34(18-21)27-30-22-16-23(26(35)28-9-4-5-10-32(2)3)37-24(22)25(31-27)33-11-13-36-14-12-33/h6-8,15-18H,4-5,9-14H2,1-3H3,(H,28,35)
• InChIKey: IANFKQLUEJVFDD-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 101.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.61
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?

The IUPAC name of N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide (CID 166738424) is N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(C(=O)NCCCCN(C)C)cc4n3)c2)c1.

What is the InChIKey of N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?

The InChIKey is IANFKQLUEJVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c1-19-7-6-8-20(15-19)21-17-29-34(18-21)27-30-22-16-23(26(35)28-9-4-5-10-32(2)3)37-24(22)25(31-27)33-11-13-36-14-12-33/h6-8,15-18H,4-5,9-14H2,1-3H3,(H,28,35).

What are the key properties of N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide?

N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 503.61 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)butyl]-2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 166738424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).