1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

C86H77ClF2N22O5S — CID 157143746

IUPAC1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCc1cc(Cl)ccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C22H21ClN6O.C22H20N6O.C21H18FN5O2.C21H18FN5OS/c1-15-13-16(23)4-5-19(15)29-11-7-18(26-29)22(30)25-17-6-10-28(14-17)21-20-3-2-9-27(20)12-8-24-21;29-22(20-24-13-17(14-25-20)16-5-2-1-3-6-16)26-18-8-11-28(15-18)21-19-7-4-10-27(19)12-9-23-21;2*22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h2-5,7-9,11-13,17H,6,10,14H2,1H3,(H,25,30);1-7,9-10,12-14,18H,8,11,15H2,(H,26,29);2*1-6,8-9,11,13,16H,7,10,12H2,(H,24,28)/t17-;18-;2*16-/m0000/s1
InChIKeyAKMAKIFXRPBQHG-SJKZTKLISA-N
MW1604.23 g/mol
LogP13.03
Rot. Bonds16

About 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide

1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (PubChem CID 157143746) has the molecular formula C86H77ClF2N22O5S and a molecular weight of 1604.23 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
PubChem CID157143746
Molecular FormulaC86H77ClF2N22O5S
Molecular Weight1604.23 g/mol
Exact Mass1602.58
IUPAC Name1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
SMILESCc1cc(Cl)ccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccccc2)cn1
InChIInChI=1S/C22H21ClN6O.C22H20N6O.C21H18FN5O2.C21H18FN5OS/c1-15-13-16(23)4-5-19(15)29-11-7-18(26-29)22(30)25-17-6-10-28(14-17)21-20-3-2-9-27(20)12-8-24-21;29-22(20-24-13-17(14-25-20)16-5-2-1-3-6-16)26-18-8-11-28(15-18)21-19-7-4-10-27(19)12-9-23-21;2*22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h2-5,7-9,11-13,17H,6,10,14H2,1H3,(H,25,30);1-7,9-10,12-14,18H,8,11,15H2,(H,26,29);2*1-6,8-9,11,13,16H,7,10,12H2,(H,24,28)/t17-;18-;2*16-/m0000/s1
InChIKeyAKMAKIFXRPBQHG-SJKZTKLISA-N
XLogP13.03
TPSA281.08 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.23
LogP ≤ 513.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide with MolForge

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Related Compounds

6-(2-chloro-4-methylphenyl)-8-[[2-(oxan-4-yl)pyrazol-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[[3-(cyclopenten-1-yl)imidazol-4-yl]methyl]-6-ethynyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[(1-cyclopropylimidazol-2-yl)methyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159865203
1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 157255546
1-(5-chloro-2-pyridinyl)-N-[(1S)-3-pyrrolo[1,2-a]pyrazin-1-ylcyclopentyl]pyrazole-3-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 157299266
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158487406
1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158883670
1-(4-chlorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;1-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;3-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-3H-1,2,4-triazole-5-carboxamide;1-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 159462475
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159485445
6-bromo-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-[(2-pyridin-4-ylfuran-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-[[2-(oxan-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylimidazol-2-yl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-[[2-(1,3-thiazol-2-yl)pyrazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-[(5-pyrrolidin-3-yl-1,3-oxazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159642422
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 159871920
1-(4-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 159894129
1-(4-fluorophenyl)-N-[(3S)-1-([1,2,4]triazolo[1,5-a]pyrazin-8-yl)pyrrolidin-3-yl]pyrazole-3-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-phenyl-N-[(3S)-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 160599725
1-(4-chlorophenyl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-3H-1,2,4-triazol-1-ium-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-oxazole-4-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 160683119

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide (CID 157143746) is 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is Cc1cc(Cl)ccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1coc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1csc(-c2ccc(F)cc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(-c2ccccc2)cn1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
The InChIKey is AKMAKIFXRPBQHG-SJKZTKLISA-N. The full InChI is InChI=1S/C22H21ClN6O.C22H20N6O.C21H18FN5O2.C21H18FN5OS/c1-15-13-16(23)4-5-19(15)29-11-7-18(26-29)22(30)25-17-6-10-28(14-17)21-20-3-2-9-27(20)12-8-24-21;29-22(20-24-13-17(14-25-20)16-5-2-1-3-6-16)26-18-8-11-28(15-18)21-19-7-4-10-27(19)12-9-23-21;2*22-15-5-3-14(4-6-15)21-25-17(13-29-21)20(28)24-16-7-10-27(12-16)19-18-2-1-9-26(18)11-8-23-19/h2-5,7-9,11-13,17H,6,10,14H2,1H3,(H,25,30);1-7,9-10,12-14,18H,8,11,15H2,(H,26,29);2*1-6,8-9,11,13,16H,7,10,12H2,(H,24,28)/t17-;18-;2*16-/m0000/s1.
What are the key properties of 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide?
1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide has a molecular weight of 1604.23 g/mol, XLogP of 13.03, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;2-(4-fluorophenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 157143746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).