2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C30H33N7O4 — CID 10152971

About 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10152971) has the molecular formula C30H33N7O4 and a molecular weight of 555.64 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• PubChem CID: 10152971
• Molecular Formula: C30H33N7O4
• Molecular Weight: 555.64 g/mol
• Exact Mass: 555.26
• IUPAC Name: 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
• SMILES: COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1OC
• InChI: InChI=1S/C30H33N7O4/c1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32)
• InChIKey: FWIJIHFRTMRDGR-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 116.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.64
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10152971) is 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COCCOc1ccc(N2CCN(Cc3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)cc1OC.

What is the InChIKey of 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

The InChIKey is FWIJIHFRTMRDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O4/c1-38-15-16-41-25-9-8-23(18-27(25)39-2)36-12-10-35(11-13-36)20-21-5-3-6-22(17-21)24-19-28-33-29(26-7-4-14-40-26)34-37(28)30(31)32-24/h3-9,14,17-19H,10-13,15-16,20H2,1-2H3,(H2,31,32).

What are the key properties of 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?

2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 555.64 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-7-[3-[[4-[3-methoxy-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10152971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).