1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide

C124H105N29O6 — CID 159987634

IUPAC1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)NCc5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)nccn3c2)cn1.Cn1cc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cn1
InChIInChI=1S/C26H23N5O.C25H18N6O.C25H22N6O.C25H21N5O2.C23H21N7O/c1-18-3-5-19(6-4-18)13-25(32)29-23-9-7-20(8-10-23)26-24-14-21(17-31(24)12-11-27-26)22-15-28-30(2)16-22;1-30-15-21(14-28-30)20-12-23-24(27-10-11-31(23)16-20)18-6-8-22(9-7-18)29-25(32)19-4-2-17(13-26)3-5-19;1-30-16-21(15-28-30)20-13-23-24(26-11-12-31(23)17-20)19-7-9-22(10-8-19)29-25(32)27-14-18-5-3-2-4-6-18;1-29-15-20(14-27-29)19-13-22-23(26-11-12-30(22)16-19)17-7-9-21(10-8-17)28-25(32)24(31)18-5-3-2-4-6-18;1-28-13-16(11-25-28)9-22(31)27-20-5-3-17(4-6-20)23-21-10-18(15-30(21)8-7-24-23)19-12-26-29(2)14-19/h3-12,14-17H,13H2,1-2H3,(H,29,32);2-12,14-16H,1H3,(H,29,32);2-13,15-17H,14H2,1H3,(H2,27,29,32);2-16,24,31H,1H3,(H,28,32);3-8,10-15H,9H2,1-2H3,(H,27,31)
InChIKeyOGNQVBQOYKUCLG-UHFFFAOYSA-N
MW2097.40 g/mol
LogP21.53
Rot. Bonds24

About 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide

1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide (PubChem CID 159987634) has the molecular formula C124H105N29O6 and a molecular weight of 2097.40 g/mol. Its IUPAC name is 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
PubChem CID159987634
Molecular FormulaC124H105N29O6
Molecular Weight2097.40 g/mol
Exact Mass2095.88
IUPAC Name1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)NCc5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)nccn3c2)cn1.Cn1cc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cn1
InChIInChI=1S/C26H23N5O.C25H18N6O.C25H22N6O.C25H21N5O2.C23H21N7O/c1-18-3-5-19(6-4-18)13-25(32)29-23-9-7-20(8-10-23)26-24-14-21(17-31(24)12-11-27-26)22-15-28-30(2)16-22;1-30-15-21(14-28-30)20-12-23-24(27-10-11-31(23)16-20)18-6-8-22(9-7-18)29-25(32)19-4-2-17(13-26)3-5-19;1-30-16-21(15-28-30)20-13-23-24(26-11-12-31(23)17-20)19-7-9-22(10-8-19)29-25(32)27-14-18-5-3-2-4-6-18;1-29-15-20(14-27-29)19-13-22-23(26-11-12-30(22)16-19)17-7-9-21(10-8-17)28-25(32)24(31)18-5-3-2-4-6-18;1-28-13-16(11-25-28)9-22(31)27-20-5-3-17(4-6-20)23-21-10-18(15-30(21)8-7-24-23)19-12-26-29(2)14-19/h3-12,14-17H,13H2,1-2H3,(H,29,32);2-12,14-16H,1H3,(H,29,32);2-13,15-17H,14H2,1H3,(H2,27,29,32);2-16,24,31H,1H3,(H,28,32);3-8,10-15H,9H2,1-2H3,(H,27,31)
InChIKeyOGNQVBQOYKUCLG-UHFFFAOYSA-N
XLogP21.53
TPSA394.97 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002097.40
LogP ≤ 521.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]-3-isocyano-N-methylpyrrolo[1,2-b]pyridazin-4-amine;tert-butyl 2-[(1S,2R)-2-[(3-cyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;4-[[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;4-[[(1R,2S)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxylic acid;7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[(4-methylpiperidin-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 157087499
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 157129905
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 157140414
CID 157459253
CID 157459253
3-(8-aminoimidazo[1,2-a]pyrazin-5-yl)-N-benzylbenzamide;3-(8-aminoimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-aminoimidazo[1,2-a]pyrazin-5-yl)-N-phenylbenzamide;3-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]benzonitrile;[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]methanol;N-[3-[4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazol-3-yl]phenyl]benzamide
CID 158690169
CID 158869930
CID 158869930
4-hydroxy-1-[4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]phenyl]butan-1-one;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzamide;4-[2-oxo-3-(6-phenylimidazo[1,5-a]pyridin-5-yl)propyl]benzoic acid;4-[2-oxo-3-[6-(1H-pyrazol-5-yl)imidazo[1,5-a]pyridin-5-yl]propyl]benzonitrile;4-[2-oxo-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-5-yl)propyl]benzonitrile;1-(6-phenylimidazo[1,5-a]pyridin-5-yl)-3-(4-propanoylphenyl)propan-2-one
CID 159794822
2-amino-2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;(2R)-2-(4-chlorophenyl)-2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(4-chlorophenyl)-2-hydroxy-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]propanamide;2-(4-chlorophenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]propanamide
CID 159899758
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N,N-diethylpiperazine-1-carboxamide;1-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methoxy-3-methylbutyl)piperidine-4-carboxamide;4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 160549946
3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]-N-methylbenzamide;5-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]phenyl]-N-methylpyridine-2-carboxamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[4-(morpholine-4-carbonyl)phenyl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160778445
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole
CID 160878255
CID 161414911
CID 161414911

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The IUPAC name of 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide (CID 159987634) is 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The canonical SMILES for 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cc1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)C(O)c5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)NCc5ccccc5)cc4)nccn3c2)cn1.Cn1cc(-c2cc3c(-c4ccc(NC(=O)c5ccc(C#N)cc5)cc4)nccn3c2)cn1.Cn1cc(CC(=O)Nc2ccc(-c3nccn4cc(-c5cnn(C)c5)cc34)cc2)cn1.
What is the InChIKey of 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
The InChIKey is OGNQVBQOYKUCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O.C25H18N6O.C25H22N6O.C25H21N5O2.C23H21N7O/c1-18-3-5-19(6-4-18)13-25(32)29-23-9-7-20(8-10-23)26-24-14-21(17-31(24)12-11-27-26)22-15-28-30(2)16-22;1-30-15-21(14-28-30)20-12-23-24(27-10-11-31(23)16-20)18-6-8-22(9-7-18)29-25(32)19-4-2-17(13-26)3-5-19;1-30-16-21(15-28-30)20-13-23-24(26-11-12-31(23)17-20)19-7-9-22(10-8-19)29-25(32)27-14-18-5-3-2-4-6-18;1-29-15-20(14-27-29)19-13-22-23(26-11-12-30(22)16-19)17-7-9-21(10-8-17)28-25(32)24(31)18-5-3-2-4-6-18;1-28-13-16(11-25-28)9-22(31)27-20-5-3-17(4-6-20)23-21-10-18(15-30(21)8-7-24-23)19-12-26-29(2)14-19/h3-12,14-17H,13H2,1-2H3,(H,29,32);2-12,14-16H,1H3,(H,29,32);2-13,15-17H,14H2,1H3,(H2,27,29,32);2-16,24,31H,1H3,(H,28,32);3-8,10-15H,9H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide?
1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide has a molecular weight of 2097.40 g/mol, XLogP of 21.53, 24 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]urea;4-cyano-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]benzamide;2-hydroxy-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]-2-phenylacetamide;2-(4-methylphenyl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide;2-(1-methylpyrazol-4-yl)-N-[4-[7-(1-methylpyrazol-4-yl)pyrrolo[1,2-a]pyrazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 159987634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).