1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

C86H85ClF2N26O7 — CID 158696870

IUPAC1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccc(F)cc2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1
InChIInChI=1S/C22H21ClN6O2.C22H21FN6O2.C22H19FN6O.C20H24N8O2/c2*23-16-3-5-17(6-4-16)29-11-7-18(26-29)21(31)25-22(15-30)8-12-28(14-22)20-19-2-1-10-27(19)13-9-24-20;23-17-5-3-15(4-6-17)16-12-25-20(26-13-16)22(30)27-18-7-10-29(14-18)21-19-2-1-9-28(19)11-8-24-21;29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h2*1-7,9-11,13,30H,8,12,14-15H2,(H,25,31);1-6,8-9,11-13,18H,7,10,14H2,(H,27,30);4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t;;18-;14-/m..00/s1
InChIKeyIHBBJUQJVXGDOE-SQHFHMASSA-N
MW1668.25 g/mol
LogP8.00
Rot. Bonds18

About 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide

1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (PubChem CID 158696870) has the molecular formula C86H85ClF2N26O7 and a molecular weight of 1668.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
PubChem CID158696870
Molecular FormulaC86H85ClF2N26O7
Molecular Weight1668.25 g/mol
Exact Mass1666.68
IUPAC Name1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
SMILESO=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccc(F)cc2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1
InChIInChI=1S/C22H21ClN6O2.C22H21FN6O2.C22H19FN6O.C20H24N8O2/c2*23-16-3-5-17(6-4-16)29-11-7-18(26-29)21(31)25-22(15-30)8-12-28(14-22)20-19-2-1-10-27(19)13-9-24-20;23-17-5-3-15(4-6-17)16-12-25-20(26-13-16)22(30)27-18-7-10-29(14-18)21-19-2-1-9-28(19)11-8-24-21;29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h2*1-7,9-11,13,30H,8,12,14-15H2,(H,25,31);1-6,8-9,11-13,18H,7,10,14H2,(H,27,30);4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t;;18-;14-/m..00/s1
InChIKeyIHBBJUQJVXGDOE-SQHFHMASSA-N
XLogP8.00
TPSA362.58 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001668.25
LogP ≤ 58.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

[4-[6-(3-Chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxycyclobutyl)methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]methanone;[4-[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-methoxycyclobutyl)methanone;[6-(3-chloro-4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
CID 157170770
[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-3-ylimidazo[1,2-a]pyridine-3-carboxamide;7-(aminomethyl)-6-(2,4-dichlorophenyl)-N-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 157225219
7-chloro-5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide;8-fluoro-5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;8-fluoro-5-(2-fluoro-4-iodoanilino)-N-(1-hydroxy-2-methylpropan-2-yl)oxyimidazo[1,5-a]pyridine-6-carboxamide;5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyrazine-6-carboxamide;5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-7-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxamide;5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157690530
[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-pyrrolidin-2-ylmethanone;3-[2-[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]piperazine-1-carbonyl]piperidin-1-yl]propanoic acid;[4-[1-[1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]piperazin-1-yl]-pyrrolidin-2-ylmethanone;1-[1-[(2,4-dichlorophenyl)methyl]-6-[4-(piperidine-2-carbonyl)piperazin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;1-[1-[(2,4-dichlorophenyl)methyl]-6-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyrazolo[3,4-b]pyrazin-3-yl]ethanone;2,2,2-trifluoroacetic acid;tetrahydrochloride
CID 157784198
(3S,4R)-3-amino-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-4-ol;(3R,5R)-1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5-methylpiperidin-3-amine;2-hydroxy-N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]propanamide;N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-4-carboxamide;1-(2-methoxyethyl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-2-carboxamide
CID 158116506
2-[3-(3-Chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 158179973
CID 158378099
CID 158378099
[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chloro-3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 158554394
4-[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone;[8-tert-butyl-6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(5-methyl-4H-imidazole-2-carbonyl)piperazin-1-yl]methanone;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 158841991
2-(6-chloro-3-pyridinyl)-N-[(1S)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(6-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrazol-1-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-2-ylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide;bis(4-methyl-N-[2-(4-methylcyclohexyl)propan-2-yl]-2-pyridin-3-ylimidazo[1,5-a]pyrimidine-8-carboxamide)
CID 158859836
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-hydroxy-3-methylbutan-1-one;1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 159033175
4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-b]pyridazin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxylic acid;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 159148353

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide (CID 158696870) is 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(Cl)cc2)n1.O=C(NC1(CO)CCN(c2nccn3cccc23)C1)c1ccn(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccc(F)cc2)cn1.O=C(N[C@H]1CCN(c2nccn3ccnc23)C1)c1cnc(N2CCC(O)CC2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is IHBBJUQJVXGDOE-SQHFHMASSA-N. The full InChI is InChI=1S/C22H21ClN6O2.C22H21FN6O2.C22H19FN6O.C20H24N8O2/c2*23-16-3-5-17(6-4-16)29-11-7-18(26-29)21(31)25-22(15-30)8-12-28(14-22)20-19-2-1-10-27(19)13-9-24-20;23-17-5-3-15(4-6-17)16-12-25-20(26-13-16)22(30)27-18-7-10-29(14-18)21-19-2-1-9-28(19)11-8-24-21;29-15-2-7-26(8-3-15)17-12-23-16(11-24-17)20(30)25-14-1-6-28(13-14)19-18-21-4-9-27(18)10-5-22-19/h2*1-7,9-11,13,30H,8,12,14-15H2,(H,25,31);1-6,8-9,11-13,18H,7,10,14H2,(H,27,30);4-5,9-12,14-15,29H,1-3,6-8,13H2,(H,25,30)/t;;18-;14-/m..00/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide?
1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 1668.25 g/mol, XLogP of 8.00, 18 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;5-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;5-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158696870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).