5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C23H19ClF3N7O — CID 66709108

About 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 66709108) has the molecular formula C23H19ClF3N7O and a molecular weight of 501.90 g/mol. Its IUPAC name is 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
• PubChem CID: 66709108
• Molecular Formula: C23H19ClF3N7O
• Molecular Weight: 501.90 g/mol
• Exact Mass: 501.13
• IUPAC Name: 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
• SMILES: CNc1nc(N)nc2c1C(c1cnc(-n3cnc(Cl)c3)c(OC)c1)CC2c1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C23H19ClF3N7O/c1-29-21-18-12(11-5-16(35-2)22(30-7-11)34-8-17(24)31-9-34)6-13(20(18)32-23(28)33-21)10-3-14(25)19(27)15(26)4-10/h3-5,7-9,12-13H,6H2,1-2H3,(H3,28,29,32,33)
• InChIKey: UIGLERJTKHJVDG-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 103.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.90
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The IUPAC name of 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 66709108) is 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The canonical SMILES for 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is CNc1nc(N)nc2c1C(c1cnc(-n3cnc(Cl)c3)c(OC)c1)CC2c1cc(F)c(F)c(F)c1.

What is the InChIKey of 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

The InChIKey is UIGLERJTKHJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N7O/c1-29-21-18-12(11-5-16(35-2)22(30-7-11)34-8-17(24)31-9-34)6-13(20(18)32-23(28)33-21)10-3-14(25)19(27)15(26)4-10/h3-5,7-9,12-13H,6H2,1-2H3,(H3,28,29,32,33).

What are the key properties of 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?

5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 501.90 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4-chloroimidazol-1-yl)-5-methoxy-3-pyridinyl]-4-N-methyl-7-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 66709108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).