4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine

C25H25ClFN7 — CID 166834602

About 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine

4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine (PubChem CID 166834602) has the molecular formula C25H25ClFN7 and a molecular weight of 477.98 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine.

Molecular Properties

• Compound Name: 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
• PubChem CID: 166834602
• Molecular Formula: C25H25ClFN7
• Molecular Weight: 477.98 g/mol
• Exact Mass: 477.18
• IUPAC Name: 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine
• SMILES: Cc1nc2nc(N3CCCC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(Cl)cc3F)c2nc1C
• InChI: InChI=1S/C25H25ClFN7/c1-14-15(2)30-24-23(29-14)22(20-8-5-18(26)10-21(20)27)31-25(32-24)33-9-3-4-16(12-33)17-11-28-34(13-17)19-6-7-19/h5,8,10-11,13,16,19H,3-4,6-7,9,12H2,1-2H3
• InChIKey: AFGZDWXBLSWWLD-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.98
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine?

The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine (CID 166834602) is 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine.

What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine?

The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine is Cc1nc2nc(N3CCCC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(Cl)cc3F)c2nc1C.

What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine?

The InChIKey is AFGZDWXBLSWWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN7/c1-14-15(2)30-24-23(29-14)22(20-8-5-18(26)10-21(20)27)31-25(32-24)33-9-3-4-16(12-33)17-11-28-34(13-17)19-6-7-19/h5,8,10-11,13,16,19H,3-4,6-7,9,12H2,1-2H3.

What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine?

4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine has a molecular weight of 477.98 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-2-fluorophenyl)-2-[3-(1-cyclopropylpyrazol-4-yl)piperidin-1-yl]-6,7-dimethylpteridine is sourced from PubChem (CID 166834602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).