7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one

C42H44N12O4 — CID 123703058

About 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one

7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 123703058) has the molecular formula C42H44N12O4 and a molecular weight of 780.89 g/mol. Its IUPAC name is 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 123703058
• Molecular Formula: C42H44N12O4
• Molecular Weight: 780.89 g/mol
• Exact Mass: 780.36
• IUPAC Name: 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: Cc1cc(-c2cnn3c2C(=O)NCC3CCCc2cc(-c3cnn4c3C(=O)NCC4(C)Cc3cc(-c4cnn5c4C(=O)NCC5C(C)O)cc(C)n3)ccn2)ccn1
• InChI: InChI=1S/C42H44N12O4/c1-23-12-26(8-10-43-23)32-18-48-52-31(17-45-39(56)36(32)52)7-5-6-29-14-27(9-11-44-29)33-20-50-54-38(33)41(58)47-22-42(54,4)16-30-15-28(13-24(2)51-30)34-19-49-53-35(25(3)55)21-46-40(57)37(34)53/h8-15,18-20,25,31,35,55H,5-7,16-17,21-22H2,1-4H3,(H,45,56)(H,46,57)(H,47,58)
• InChIKey: XKXDIZRUKWHSES-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 199.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.89
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 123703058) is 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cc(-c2cnn3c2C(=O)NCC3CCCc2cc(-c3cnn4c3C(=O)NCC4(C)Cc3cc(-c4cnn5c4C(=O)NCC5C(C)O)cc(C)n3)ccn2)ccn1.

What is the InChIKey of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is XKXDIZRUKWHSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44N12O4/c1-23-12-26(8-10-43-23)32-18-48-52-31(17-45-39(56)36(32)52)7-5-6-29-14-27(9-11-44-29)33-20-50-54-38(33)41(58)47-22-42(54,4)16-30-15-28(13-24(2)51-30)34-19-49-53-35(25(3)55)21-46-40(57)37(34)53/h8-15,18-20,25,31,35,55H,5-7,16-17,21-22H2,1-4H3,(H,45,56)(H,46,57)(H,47,58).

What are the key properties of 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one?

7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 780.89 g/mol, XLogP of 3.75, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[7-(1-hydroxyethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-3-yl]-6-methyl-2-pyridinyl]methyl]-7-methyl-3-[2-[3-[3-(2-methyl-4-pyridinyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-7-yl]propyl]-4-pyridinyl]-5,6-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 123703058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).