2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one

C28H31N7O2S — CID 56929057

About 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one

2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 56929057) has the molecular formula C28H31N7O2S and a molecular weight of 529.67 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

• Compound Name: 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one
• PubChem CID: 56929057
• Molecular Formula: C28H31N7O2S
• Molecular Weight: 529.67 g/mol
• Exact Mass: 529.23
• IUPAC Name: 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one
• SMILES: Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O
• InChI: InChI=1S/C28H31N7O2S/c1-16-19(7-6-8-22(16)34-14-17-11-23(28(2,3)4)38-25(17)27(34)37)20-13-21(26(36)31-30-20)29-24-12-18-15-33(5)9-10-35(18)32-24/h6-8,11-13H,9-10,14-15H2,1-5H3,(H,31,36)(H,29,30,32)
• InChIKey: ADIGCBHSQFHVRD-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 99.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.67
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one?

The IUPAC name of 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one (CID 56929057) is 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one.

What is the SMILES notation for 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one?

The canonical SMILES for 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one is Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O.

What is the InChIKey of 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one?

The InChIKey is ADIGCBHSQFHVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2S/c1-16-19(7-6-8-22(16)34-14-17-11-23(28(2,3)4)38-25(17)27(34)37)20-13-21(26(36)31-30-20)29-24-12-18-15-33(5)9-10-35(18)32-24/h6-8,11-13H,9-10,14-15H2,1-5H3,(H,31,36)(H,29,30,32).

What are the key properties of 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one?

2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 529.67 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-[2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 56929057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).