2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

C29H28F2N8O — CID 59503746

IUPAC2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C29H28F2N8O/c1-19-14-39-25(21-12-33-38(16-21)18-26(40)36-24-9-5-8-23(30)27(24)31)13-32-29(39)28(34-19)35-22-10-11-37(17-22)15-20-6-3-2-4-7-20/h2-9,12-14,16,22H,10-11,15,17-18H2,1H3,(H,34,35)(H,36,40)
InChIKeyPWVAQWSWOXISSQ-UHFFFAOYSA-N
MW542.59 g/mol
LogP4.50
Rot. Bonds8

About 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide

2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (PubChem CID 59503746) has the molecular formula C29H28F2N8O and a molecular weight of 542.59 g/mol. Its IUPAC name is 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
PubChem CID59503746
Molecular FormulaC29H28F2N8O
Molecular Weight542.59 g/mol
Exact Mass542.24
IUPAC Name2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC2CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C29H28F2N8O/c1-19-14-39-25(21-12-33-38(16-21)18-26(40)36-24-9-5-8-23(30)27(24)31)13-32-29(39)28(34-19)35-22-10-11-37(17-22)15-20-6-3-2-4-7-20/h2-9,12-14,16,22H,10-11,15,17-18H2,1H3,(H,34,35)(H,36,40)
InChIKeyPWVAQWSWOXISSQ-UHFFFAOYSA-N
XLogP4.50
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The IUPAC name of 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide (CID 59503746) is 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c(NC2CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
The InChIKey is PWVAQWSWOXISSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N8O/c1-19-14-39-25(21-12-33-38(16-21)18-26(40)36-24-9-5-8-23(30)27(24)31)13-32-29(39)28(34-19)35-22-10-11-37(17-22)15-20-6-3-2-4-7-20/h2-9,12-14,16,22H,10-11,15,17-18H2,1H3,(H,34,35)(H,36,40).
What are the key properties of 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide?
2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide has a molecular weight of 542.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[(1-benzylpyrrolidin-3-yl)amino]-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 59503746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).