2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

C78H87N27O4S2 — CID 158773069

IUPAC2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3csc(N4CCC4)n3)C2)n1.O=C(N[C@@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(C2CCCC2)cn1
InChIInChI=1S/C21H24N6O.C20H24N6OS.C19H18N8O.C18H21N7OS/c28-21(19-23-12-16(13-24-19)15-4-1-2-5-15)25-17-7-10-27(14-17)20-18-6-3-9-26(18)11-8-22-20;1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24;28-19(16-22-13-27(24-16)15-4-2-1-3-5-15)23-14-6-9-26(12-14)18-17-20-7-10-25(17)11-8-21-18;1-12-9-25-8-4-19-15(25)16(20-12)24-7-3-13(10-24)21-17(26)14-11-27-18(22-14)23-5-2-6-23/h3,6,8-9,11-13,15,17H,1-2,4-5,7,10,14H2,(H,25,28);4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27);1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,28);4,8-9,11,13H,2-3,5-7,10H2,1H3,(H,21,26)/t17-;15-;14-;13-/m0010/s1
InChIKeyIQCTZVPPJLMBIX-LATXFQCQSA-N
MW1530.87 g/mol
LogP8.53
Rot. Bonds16

About 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide

2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (PubChem CID 158773069) has the molecular formula C78H87N27O4S2 and a molecular weight of 1530.87 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
PubChem CID158773069
Molecular FormulaC78H87N27O4S2
Molecular Weight1530.87 g/mol
Exact Mass1529.69
IUPAC Name2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
SMILESCc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3csc(N4CCC4)n3)C2)n1.O=C(N[C@@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(C2CCCC2)cn1
InChIInChI=1S/C21H24N6O.C20H24N6OS.C19H18N8O.C18H21N7OS/c28-21(19-23-12-16(13-24-19)15-4-1-2-5-15)25-17-7-10-27(14-17)20-18-6-3-9-26(18)11-8-22-20;1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24;28-19(16-22-13-27(24-16)15-4-2-1-3-5-15)23-14-6-9-26(12-14)18-17-20-7-10-25(17)11-8-21-18;1-12-9-25-8-4-19-15(25)16(20-12)24-7-3-13(10-24)21-17(26)14-11-27-18(22-14)23-5-2-6-23/h3,6,8-9,11-13,15,17H,1-2,4-5,7,10,14H2,(H,25,28);4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27);1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,28);4,8-9,11,13H,2-3,5-7,10H2,1H3,(H,21,26)/t17-;15-;14-;13-/m0010/s1
InChIKeyIQCTZVPPJLMBIX-LATXFQCQSA-N
XLogP8.53
TPSA313.09 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.87
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-2-(pyridin-4-yl)thiazole-4-carboxamide
CID 118538788
N-(6-(2-(4-fluorophenyl) imidazo[1,2-a]pyridin-3-yl) imidazo[1,2-b]pyridazin-2-yl)-2-(pyridin-3-yl)thiazole-4-carboxamide
CID 118538921
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 158591199
CID 160725837
CID 160725837
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-fluoro-5-methyl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-2-propan-2-ylpyrimidin-5-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 161900518
(8S,11S,15R)-10-[1-(2,4-difluorophenyl)-6-[3-(1,3-thiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-15-methoxy-13,18-dimethyl-7,10,13,17,19,21,26-heptazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(24),2(26),3,5,18,20,22-heptaen-12-one
CID 176185660
(8S,11S)-10-[1-(2,4-difluorophenyl)-6-[3-(1,3-thiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]pyrazolo[5,4-d]pyrimidin-4-yl]-13,18-dimethyl-7,10,13,17,19,23,26-heptazapentacyclo[15.6.1.12,6.18,11.020,24]hexacosa-1(23),2(26),3,5,18,20(24),21-heptaen-12-one
CID 176675412
[2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 23113287
[(5R)-3-[7-amino-6-methylsulfonyl-3-[6-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-6-azabicyclo[3.1.1]heptan-6-yl]-(2H-triazol-4-yl)methanone
CID 71136001
[4-[12-Fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;[4-[12-fluoro-4-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-13-yl]phenyl]-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 87113537
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1,3-thiazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-5-carboxamide;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 89464836
[(1S,5R)-3-[7-amino-6-methylsulfonyl-3-[6-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-6-azabicyclo[3.1.1]heptan-6-yl]-(2H-triazol-4-yl)methanone
CID 118629365

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide (CID 158773069) is 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is Cc1cn2cccc2c(N2CC[C@H](NC(=O)c3csc(N4CCCC4)n3)C2)n1.Cc1cn2ccnc2c(N2CC[C@H](NC(=O)c3csc(N4CCC4)n3)C2)n1.O=C(N[C@@H]1CCN(c2nccn3ccnc23)C1)c1ncn(-c2ccccc2)n1.O=C(N[C@H]1CCN(c2nccn3cccc23)C1)c1ncc(C2CCCC2)cn1.
What is the InChIKey of 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
The InChIKey is IQCTZVPPJLMBIX-LATXFQCQSA-N. The full InChI is InChI=1S/C21H24N6O.C20H24N6OS.C19H18N8O.C18H21N7OS/c28-21(19-23-12-16(13-24-19)15-4-1-2-5-15)25-17-7-10-27(14-17)20-18-6-3-9-26(18)11-8-22-20;1-14-11-25-9-4-5-17(25)18(21-14)26-10-6-15(12-26)22-19(27)16-13-28-20(23-16)24-7-2-3-8-24;28-19(16-22-13-27(24-16)15-4-2-1-3-5-15)23-14-6-9-26(12-14)18-17-20-7-10-25(17)11-8-21-18;1-12-9-25-8-4-19-15(25)16(20-12)24-7-3-13(10-24)21-17(26)14-11-27-18(22-14)23-5-2-6-23/h3,6,8-9,11-13,15,17H,1-2,4-5,7,10,14H2,(H,25,28);4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,22,27);1-5,7-8,10-11,13-14H,6,9,12H2,(H,23,28);4,8-9,11,13H,2-3,5-7,10H2,1H3,(H,21,26)/t17-;15-;14-;13-/m0010/s1.
What are the key properties of 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide?
2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide has a molecular weight of 1530.87 g/mol, XLogP of 8.53, 16 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;5-cyclopentyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3R)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158773069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).