8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide

C26H29F2N7O4S — CID 162533442

IUPAC8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1)N1CC(F)(F)C1
InChIInChI=1S/C26H29F2N7O4S/c1-13(15-4-5-15)34-9-17-6-16(7-20(40(3,38)39)21(17)25(34)37)19-8-30-23-22(29)32-18(10-35(19)23)24(36)31-14(2)33-11-26(27,28)12-33/h6-8,10,13-15H,4-5,9,11-12H2,1-3H3,(H2,29,32)(H,31,36)/t13-,14?/m0/s1
InChIKeyQZNQYGOAJCTJLM-LSLKUGRBSA-N
MW573.63 g/mol
LogP2.16
Rot. Bonds7

About 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide

8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 162533442) has the molecular formula C26H29F2N7O4S and a molecular weight of 573.63 g/mol. Its IUPAC name is 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID162533442
Molecular FormulaC26H29F2N7O4S
Molecular Weight573.63 g/mol
Exact Mass573.20
IUPAC Name8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCC(NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1)N1CC(F)(F)C1
InChIInChI=1S/C26H29F2N7O4S/c1-13(15-4-5-15)34-9-17-6-16(7-20(40(3,38)39)21(17)25(34)37)19-8-30-23-22(29)32-18(10-35(19)23)24(36)31-14(2)33-11-26(27,28)12-33/h6-8,10,13-15H,4-5,9,11-12H2,1-3H3,(H2,29,32)(H,31,36)/t13-,14?/m0/s1
InChIKeyQZNQYGOAJCTJLM-LSLKUGRBSA-N
XLogP2.16
TPSA143.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide 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 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 162533442) is 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide is CC(NC(=O)c1cn2c(-c3cc4c(c(S(C)(=O)=O)c3)C(=O)N([C@@H](C)C3CC3)C4)cnc2c(N)n1)N1CC(F)(F)C1.
What is the InChIKey of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is QZNQYGOAJCTJLM-LSLKUGRBSA-N. The full InChI is InChI=1S/C26H29F2N7O4S/c1-13(15-4-5-15)34-9-17-6-16(7-20(40(3,38)39)21(17)25(34)37)19-8-30-23-22(29)32-18(10-35(19)23)24(36)31-14(2)33-11-26(27,28)12-33/h6-8,10,13-15H,4-5,9,11-12H2,1-3H3,(H2,29,32)(H,31,36)/t13-,14?/m0/s1.
What are the key properties of 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 573.63 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-N-[1-(3,3-difluoroazetidin-1-yl)ethyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 162533442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).