[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C140H183N45O9S — CID 162276014

IUPAC[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESC=C(C)Nc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n(C)n1.CNC(=O)c1ncc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3[nH]cnc3NCCO)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccsc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3occ(C)c3C)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C28H34N6O.C24H33N9O.C23H30N6O2.C22H29N9O2.C22H31N9O2.C21H26N6OS/c1-16-15-34-26(31-27(16)19-7-9-21(29)12-19)14-24(32-34)25-6-4-5-11-33(25)28(35)20-8-10-23-22(13-20)17(2)18(3)30-23;1-15(2)26-21-12-20(30(4)29-21)24(34)32-9-6-5-7-19(32)18-11-22-27-23(16(3)13-33(22)28-18)31-10-8-17(25)14-31;1-14-11-29-20(25-22(14)27-9-7-17(24)12-27)10-18(26-29)19-6-4-5-8-28(19)23(30)21-16(3)15(2)13-31-21;1-13-11-31-18(27-20(13)29-8-6-14(23)12-29)9-15(28-31)17-5-3-4-7-30(17)22(33)16-10-25-19(26-16)21(32)24-2;1-14-11-31-18(27-21(14)29-8-5-15(23)12-29)10-16(28-31)17-4-2-3-7-30(17)22(33)19-20(24-6-9-32)26-13-25-19;1-14-11-27-19(23-20(14)25-8-5-16(22)12-25)10-17(24-27)18-4-2-3-7-26(18)21(28)15-6-9-29-13-15/h8,10,13-15,19,21,25,30H,4-7,9,11-12,29H2,1-3H3;11-13,17,19H,1,5-10,14,25H2,2-4H3,(H,26,29);10-11,13,17,19H,4-9,12,24H2,1-3H3;9-11,14,17H,3-8,12,23H2,1-2H3,(H,24,32)(H,25,26);10-11,13,15,17,24,32H,2-9,12,23H2,1H3,(H,25,26);6,9-11,13,16,18H,2-5,7-8,12,22H2,1H3/t19?,21-,25-;2*17-,19-;14-,17-;15-,17-;16-,18-/m000000/s1
InChIKeyUHIXJXXTEXRNOW-UTXYTBQGSA-N
MW2672.38 g/mol
LogP15.97
Rot. Bonds24

About [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 162276014) has the molecular formula C140H183N45O9S and a molecular weight of 2672.38 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID162276014
Molecular FormulaC140H183N45O9S
Molecular Weight2672.38 g/mol
Exact Mass2670.50
IUPAC Name[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESC=C(C)Nc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n(C)n1.CNC(=O)c1ncc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3[nH]cnc3NCCO)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccsc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3occ(C)c3C)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C28H34N6O.C24H33N9O.C23H30N6O2.C22H29N9O2.C22H31N9O2.C21H26N6OS/c1-16-15-34-26(31-27(16)19-7-9-21(29)12-19)14-24(32-34)25-6-4-5-11-33(25)28(35)20-8-10-23-22(13-20)17(2)18(3)30-23;1-15(2)26-21-12-20(30(4)29-21)24(34)32-9-6-5-7-19(32)18-11-22-27-23(16(3)13-33(22)28-18)31-10-8-17(25)14-31;1-14-11-29-20(25-22(14)27-9-7-17(24)12-27)10-18(26-29)19-6-4-5-8-28(19)23(30)21-16(3)15(2)13-31-21;1-13-11-31-18(27-20(13)29-8-6-14(23)12-29)9-15(28-31)17-5-3-4-7-30(17)22(33)16-10-25-19(26-16)21(32)24-2;1-14-11-31-18(27-21(14)29-8-5-15(23)12-29)10-16(28-31)17-4-2-3-7-30(17)22(33)19-20(24-6-9-32)26-13-25-19;1-14-11-27-19(23-20(14)25-8-5-16(22)12-25)10-17(24-27)18-4-2-3-7-26(18)21(28)15-6-9-29-13-15/h8,10,13-15,19,21,25,30H,4-7,9,11-12,29H2,1-3H3;11-13,17,19H,1,5-10,14,25H2,2-4H3,(H,26,29);10-11,13,17,19H,4-9,12,24H2,1-3H3;9-11,14,17H,3-8,12,23H2,1-2H3,(H,24,32)(H,25,26);10-11,13,15,17,24,32H,2-9,12,23H2,1H3,(H,25,26);6,9-11,13,16,18H,2-5,7-8,12,22H2,1H3/t19?,21-,25-;2*17-,19-;14-,17-;15-,17-;16-,18-/m000000/s1
InChIKeyUHIXJXXTEXRNOW-UTXYTBQGSA-N
XLogP15.97
TPSA652.82 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002672.38
LogP ≤ 515.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 162276014) is [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone is C=C(C)Nc1cc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)n(C)n1.CNC(=O)c1ncc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)[nH]1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3[nH]cnc3NCCO)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4[nH]c(C)c(C)c4c3)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccsc3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3occ(C)c3C)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is UHIXJXXTEXRNOW-UTXYTBQGSA-N. The full InChI is InChI=1S/C28H34N6O.C24H33N9O.C23H30N6O2.C22H29N9O2.C22H31N9O2.C21H26N6OS/c1-16-15-34-26(31-27(16)19-7-9-21(29)12-19)14-24(32-34)25-6-4-5-11-33(25)28(35)20-8-10-23-22(13-20)17(2)18(3)30-23;1-15(2)26-21-12-20(30(4)29-21)24(34)32-9-6-5-7-19(32)18-11-22-27-23(16(3)13-33(22)28-18)31-10-8-17(25)14-31;1-14-11-29-20(25-22(14)27-9-7-17(24)12-27)10-18(26-29)19-6-4-5-8-28(19)23(30)21-16(3)15(2)13-31-21;1-13-11-31-18(27-20(13)29-8-6-14(23)12-29)9-15(28-31)17-5-3-4-7-30(17)22(33)16-10-25-19(26-16)21(32)24-2;1-14-11-31-18(27-21(14)29-8-5-15(23)12-29)10-16(28-31)17-4-2-3-7-30(17)22(33)19-20(24-6-9-32)26-13-25-19;1-14-11-27-19(23-20(14)25-8-5-16(22)12-25)10-17(24-27)18-4-2-3-7-26(18)21(28)15-6-9-29-13-15/h8,10,13-15,19,21,25,30H,4-7,9,11-12,29H2,1-3H3;11-13,17,19H,1,5-10,14,25H2,2-4H3,(H,26,29);10-11,13,17,19H,4-9,12,24H2,1-3H3;9-11,14,17H,3-8,12,23H2,1-2H3,(H,24,32)(H,25,26);10-11,13,15,17,24,32H,2-9,12,23H2,1H3,(H,25,26);6,9-11,13,16,18H,2-5,7-8,12,22H2,1H3/t19?,21-,25-;2*17-,19-;14-,17-;15-,17-;16-,18-/m000000/s1.
What are the key properties of [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 2672.38 g/mol, XLogP of 15.97, 24 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;5-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-N-methyl-1H-imidazole-2-carboxamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,4-dimethylfuran-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[4-(2-hydroxyethylamino)-1H-imidazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[1-methyl-3-(prop-1-en-2-ylamino)pyrazol-5-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 162276014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).