1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane

C26H31F3N6O — CID 157045875

About 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane

1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane (PubChem CID 157045875) has the molecular formula C26H31F3N6O and a molecular weight of 500.57 g/mol. Its IUPAC name is 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane.

Molecular Properties

• Compound Name: 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane
• PubChem CID: 157045875
• Molecular Formula: C26H31F3N6O
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.25
• IUPAC Name: 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane
• SMILES: CC.Cc1nc2cc(N3CCOCC3)nc(C3=C=C(C(F)(F)F)C3)c2nc1C.c1cnn(C2CC2)c1
• InChI: InChI=1S/C18H17F3N4O.C6H8N2.C2H6/c1-10-11(2)23-17-14(22-10)9-15(25-3-5-26-6-4-25)24-16(17)12-7-13(8-12)18(19,20)21;1-4-7-8(5-1)6-2-3-6;1-2/h9H,3-7H2,1-2H3;1,4-6H,2-3H2;1-2H3
• InChIKey: ODDLYPFGSLEZSM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 68.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane?

The IUPAC name of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane (CID 157045875) is 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane.

What is the SMILES notation for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane?

The canonical SMILES for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane is CC.Cc1nc2cc(N3CCOCC3)nc(C3=C=C(C(F)(F)F)C3)c2nc1C.c1cnn(C2CC2)c1.

What is the InChIKey of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane?

The InChIKey is ODDLYPFGSLEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O.C6H8N2.C2H6/c1-10-11(2)23-17-14(22-10)9-15(25-3-5-26-6-4-25)24-16(17)12-7-13(8-12)18(19,20)21;1-4-7-8(5-1)6-2-3-6;1-2/h9H,3-7H2,1-2H3;1,4-6H,2-3H2;1-2H3.

What are the key properties of 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane?

1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane has a molecular weight of 500.57 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylpyrazole;4-[2,3-dimethyl-5-[3-(trifluoromethyl)cyclobuta-1,2-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]morpholine;ethane is sourced from PubChem (CID 157045875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).