2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C28H28Cl2N6O3 — CID 174222795

About 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 174222795) has the molecular formula C28H28Cl2N6O3 and a molecular weight of 567.48 g/mol. Its IUPAC name is 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• PubChem CID: 174222795
• Molecular Formula: C28H28Cl2N6O3
• Molecular Weight: 567.48 g/mol
• Exact Mass: 566.16
• IUPAC Name: 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
• SMILES: COc1cc2[nH]nc(-c3ccc(N4CCN5C(=O)CCC5C4)nc3)c2cc1OC(C)c1c(Cl)cnc(C)c1Cl
• InChI: InChI=1S/C28H28Cl2N6O3/c1-15-27(30)26(20(29)13-31-15)16(2)39-23-10-19-21(11-22(23)38-3)33-34-28(19)17-4-6-24(32-12-17)35-8-9-36-18(14-35)5-7-25(36)37/h4,6,10-13,16,18H,5,7-9,14H2,1-3H3,(H,33,34)
• InChIKey: BLBZSIFTFDMDAP-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 96.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.48
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The IUPAC name of 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 174222795) is 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

What is the SMILES notation for 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The canonical SMILES for 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is COc1cc2[nH]nc(-c3ccc(N4CCN5C(=O)CCC5C4)nc3)c2cc1OC(C)c1c(Cl)cnc(C)c1Cl.

What is the InChIKey of 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

The InChIKey is BLBZSIFTFDMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N6O3/c1-15-27(30)26(20(29)13-31-15)16(2)39-23-10-19-21(11-22(23)38-3)33-34-28(19)17-4-6-24(32-12-17)35-8-9-36-18(14-35)5-7-25(36)37/h4,6,10-13,16,18H,5,7-9,14H2,1-3H3,(H,33,34).

What are the key properties of 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?

2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 567.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-[1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-6-methoxy-1H-indazol-3-yl]-2-pyridinyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 174222795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).