2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide

C97H82Cl2N18O8S2 — CID 158798932

IUPAC2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide
SMILESCOC(C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1.CS(=O)(=O)Nc1ccc(-c2nccn3cc(-c4ccc(S(C)(=O)=O)cc4)cc23)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccc(Cl)cc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5cccc(Cl)c5)cc4)nccn3c2)cn1
InChIInChI=1S/C26H23N5O2.2C25H20ClN5O.C21H19N3O4S2/c1-30-16-21(15-28-30)20-14-23-24(27-12-13-31(23)17-20)18-8-10-22(11-9-18)29-26(32)25(33-2)19-6-4-3-5-7-19;1-30-15-20(14-28-30)19-13-23-25(27-10-11-31(23)16-19)18-4-8-22(9-5-18)29-24(32)12-17-2-6-21(26)7-3-17;1-30-15-20(14-28-30)19-13-23-25(27-9-10-31(23)16-19)18-5-7-22(8-6-18)29-24(32)12-17-3-2-4-21(26)11-17;1-29(25,26)19-9-5-15(6-10-19)17-13-20-21(22-11-12-24(20)14-17)16-3-7-18(8-4-16)23-30(2,27)28/h3-17,25H,1-2H3,(H,29,32);2*2-11,13-16H,12H2,1H3,(H,29,32);3-14,23H,1-2H3
InChIKeyITFOQXQVZRTZKE-UHFFFAOYSA-N
MW1762.88 g/mol
LogP18.64
Rot. Bonds21

About 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide

2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide (PubChem CID 158798932) has the molecular formula C97H82Cl2N18O8S2 and a molecular weight of 1762.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide
PubChem CID158798932
Molecular FormulaC97H82Cl2N18O8S2
Molecular Weight1762.88 g/mol
Exact Mass1760.54
IUPAC Name2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide
SMILESCOC(C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1.CS(=O)(=O)Nc1ccc(-c2nccn3cc(-c4ccc(S(C)(=O)=O)cc4)cc23)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccc(Cl)cc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5cccc(Cl)c5)cc4)nccn3c2)cn1
InChIInChI=1S/C26H23N5O2.2C25H20ClN5O.C21H19N3O4S2/c1-30-16-21(15-28-30)20-14-23-24(27-12-13-31(23)17-20)18-8-10-22(11-9-18)29-26(32)25(33-2)19-6-4-3-5-7-19;1-30-15-20(14-28-30)19-13-23-25(27-10-11-31(23)16-19)18-4-8-22(9-5-18)29-24(32)12-17-2-6-21(26)7-3-17;1-30-15-20(14-28-30)19-13-23-25(27-9-10-31(23)16-19)18-5-7-22(8-6-18)29-24(32)12-17-3-2-4-21(26)11-17;1-29(25,26)19-9-5-15(6-10-19)17-13-20-21(22-11-12-24(20)14-17)16-3-7-18(8-4-16)23-30(2,27)28/h3-17,25H,1-2H3,(H,29,32);2*2-11,13-16H,12H2,1H3,(H,29,32);3-14,23H,1-2H3
InChIKeyITFOQXQVZRTZKE-UHFFFAOYSA-N
XLogP18.64
TPSA299.50 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001762.88
LogP ≤ 518.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

(2S)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;(2R)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;(2S)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
CID 158070338
(2S)-2-amino-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;(2R)-2-amino-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;2-amino-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide;(2R)-2-(4-chlorophenyl)-2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;(2S)-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]butanamide
CID 160664502
2-chloro-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;3-chloro-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;4-chloro-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide;(2S)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;4-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzenesulfonamide
CID 161675105

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide (CID 158798932) is 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide is COC(C(=O)Nc1ccc(-c2nccn3cc(-c4cnn(C)c4)cc23)cc1)c1ccccc1.CS(=O)(=O)Nc1ccc(-c2nccn3cc(-c4ccc(S(C)(=O)=O)cc4)cc23)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5ccc(Cl)cc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)Cc5cccc(Cl)c5)cc4)nccn3c2)cn1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide?
The InChIKey is ITFOQXQVZRTZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2.2C25H20ClN5O.C21H19N3O4S2/c1-30-16-21(15-28-30)20-14-23-24(27-12-13-31(23)17-20)18-8-10-22(11-9-18)29-26(32)25(33-2)19-6-4-3-5-7-19;1-30-15-20(14-28-30)19-13-23-25(27-10-11-31(23)16-19)18-4-8-22(9-5-18)29-24(32)12-17-2-6-21(26)7-3-17;1-30-15-20(14-28-30)19-13-23-25(27-9-10-31(23)16-19)18-5-7-22(8-6-18)29-24(32)12-17-3-2-4-21(26)11-17;1-29(25,26)19-9-5-15(6-10-19)17-13-20-21(22-11-12-24(20)14-17)16-3-7-18(8-4-16)23-30(2,27)28/h3-17,25H,1-2H3,(H,29,32);2*2-11,13-16H,12H2,1H3,(H,29,32);3-14,23H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide?
2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide has a molecular weight of 1762.88 g/mol, XLogP of 18.64, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-methoxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;N-[4-[7-(4-methylsulfonylphenyl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 158798932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).