2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide

C28H26FN7O — CID 71033365

IUPAC2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4C)c3)cnc2c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C28H26FN7O/c1-17-14-36-25(13-30-28(36)27(32-17)33-22-10-19-6-3-4-7-20(19)11-22)21-12-31-35(15-21)16-26(37)34-24-9-5-8-23(29)18(24)2/h3-9,12-15,22H,10-11,16H2,1-2H3,(H,32,33)(H,34,37)
InChIKeyBVSOAOMSOFMUQU-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.57
Rot. Bonds6

About 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide

2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 71033365) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID71033365
Molecular FormulaC28H26FN7O
Molecular Weight495.56 g/mol
Exact Mass495.22
IUPAC Name2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4C)c3)cnc2c(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C28H26FN7O/c1-17-14-36-25(13-30-28(36)27(32-17)33-22-10-19-6-3-4-7-20(19)11-22)21-12-31-35(15-21)16-26(37)34-24-9-5-8-23(29)18(24)2/h3-9,12-15,22H,10-11,16H2,1-2H3,(H,32,33)(H,34,37)
InChIKeyBVSOAOMSOFMUQU-UHFFFAOYSA-N
XLogP4.57
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide (CID 71033365) is 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide is Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4C)c3)cnc2c(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is BVSOAOMSOFMUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c1-17-14-36-25(13-30-28(36)27(32-17)33-22-10-19-6-3-4-7-20(19)11-22)21-12-31-35(15-21)16-26(37)34-24-9-5-8-23(29)18(24)2/h3-9,12-15,22H,10-11,16H2,1-2H3,(H,32,33)(H,34,37).
What are the key properties of 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide?
2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 495.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(2,3-dihydro-1H-inden-2-ylamino)-6-methylimidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 71033365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).