[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid

C132H149N25O7Pt — CID 160679557

IUPAC[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid
SMILESCC1CCc2cccnc21.CCN(C(C)C)C(C)C.C[C@@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCNC21.NC1CCc2cccnc21.N[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.O=C(O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.O=[Pt]=O
InChIInChI=1S/2C27H27N5O.C26H26N6O.C18H12N4O2.C9H17N.C9H11N.C8H10N2.C8H19N.2O.Pt/c2*1-18-9-10-20-8-5-14-31(25(18)20)27(33)21-11-13-28-24(16-21)22-17-29-32-15-12-23(30-26(22)32)19-6-3-2-4-7-19;27-21-9-8-18-7-4-13-31(24(18)21)26(33)19-10-12-28-23(15-19)20-16-29-32-14-11-22(30-25(20)32)17-5-2-1-3-6-17;23-18(24)13-6-8-19-16(10-13)14-11-20-22-9-7-15(21-17(14)22)12-4-2-1-3-5-12;2*1-7-4-5-8-3-2-6-10-9(7)8;9-7-4-3-6-2-1-5-10-8(6)7;1-6-9(7(2)3)8(4)5;;;/h2*2-4,6-7,11-13,15-18,20,25H,5,8-10,14H2,1H3;1-3,5-6,10-12,14-16,18,21,24H,4,7-9,13,27H2;1-11H,(H,23,24);7-10H,2-6H2,1H3;2-3,6-7H,4-5H2,1H3;1-2,5,7H,3-4,9H2;7-8H,6H2,1-5H3;;;/t18-,20+,25-;18-,20-,25+;18-,21+,24-;;7-,8+,9?;;;;;;/m011.0....../s1
InChIKeyALIXSOUNWIKHME-AWBRSZMQSA-N
MW2392.89 g/mol
LogP24.00
Rot. Bonds15

About [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid

[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid (PubChem CID 160679557) has the molecular formula C132H149N25O7Pt and a molecular weight of 2392.89 g/mol. Its IUPAC name is [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid
PubChem CID160679557
Molecular FormulaC132H149N25O7Pt
Molecular Weight2392.89 g/mol
Exact Mass2391.17
IUPAC Name[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid
SMILESCC1CCc2cccnc21.CCN(C(C)C)C(C)C.C[C@@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCNC21.NC1CCc2cccnc21.N[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.O=C(O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.O=[Pt]=O
InChIInChI=1S/2C27H27N5O.C26H26N6O.C18H12N4O2.C9H17N.C9H11N.C8H10N2.C8H19N.2O.Pt/c2*1-18-9-10-20-8-5-14-31(25(18)20)27(33)21-11-13-28-24(16-21)22-17-29-32-15-12-23(30-26(22)32)19-6-3-2-4-7-19;27-21-9-8-18-7-4-13-31(24(18)21)26(33)19-10-12-28-23(15-19)20-16-29-32-14-11-22(30-25(20)32)17-5-2-1-3-6-17;23-18(24)13-6-8-19-16(10-13)14-11-20-22-9-7-15(21-17(14)22)12-4-2-1-3-5-12;2*1-7-4-5-8-3-2-6-10-9(7)8;9-7-4-3-6-2-1-5-10-8(6)7;1-6-9(7(2)3)8(4)5;;;/h2*2-4,6-7,11-13,15-18,20,25H,5,8-10,14H2,1H3;1-3,5-6,10-12,14-16,18,21,24H,4,7-9,13,27H2;1-11H,(H,23,24);7-10H,2-6H2,1H3;2-3,6-7H,4-5H2,1H3;1-2,5,7H,3-4,9H2;7-8H,6H2,1-5H3;;;/t18-,20+,25-;18-,20-,25+;18-,21+,24-;;7-,8+,9?;;;;;;/m011.0....../s1
InChIKeyALIXSOUNWIKHME-AWBRSZMQSA-N
XLogP24.00
TPSA397.78 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002392.89
LogP ≤ 524.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid with MolForge

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Related Compounds

(1S)-1-[[2-amino-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[2-carbamoyl-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 159124188
(1S)-1-[[2-amino-7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[2-carbamoyl-7-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;(1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 160698139
N-[3-(dimethylamino)propyl]-3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzamide;N',N'-dimethylpropane-1,3-diamine;3-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoic acid
CID 157108653
5-[4-(Benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carboxylic acid;bis(methyl 1-[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carbonyl]pyrrolidine-2-carboxylate);methyl cyclopentanecarboxylate
CID 157181071
6-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]pyridine-2-carboxylic acid;6-N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-N-[[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methyl]pyridine-2,6-dicarboxamide;[3-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methanamine
CID 157252524
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3,5-dimethylphenyl)methanone;tert-butyl N-[(3S)-1-[6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate;3,5-dimethylbenzoic acid
CID 157395838
4-[(1S)-1-[carboxymethyl-[[5-[(3,4-difluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methylbenzoic acid;4-[(1S)-1-[carboxymethyl-[[5-[(3-fluoro-4-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]benzoic acid;4-[(1S)-1-[carboxymethyl-[[5-[(3-fluoro-4-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]methyl]amino]ethyl]-2-methylbenzoic acid;tetrakis((1S)-1-[[5-[(3,4-difluorophenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid)
CID 157733859
tert-butyl N-[(2S)-5-[2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]-5-oxopentan-2-yl]-N-ethylcarbamate;2-chloro-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid;(4S)-4-(ethylamino)-1-[2-ethyl-6-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;(2R)-2-methylpentan-1-amine
CID 157779994
N-(2-hydroxyethyl)-3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzamide;3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 157995926
4-[4-amino-1-[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-isocyano-2-pyridinyl)benzamide;4-[4-amino-1-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(4-isocyano-2-pyridinyl)benzamide;(E)-4-(dimethylamino)but-2-enoic acid
CID 158029839
2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)-N-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide;2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid;1-[2-(6-methyl-2-pyridinyl)-4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]ethanone
CID 158045586
4-iodo-7H-pyrrolo[3,4-b]pyridine;4-iodo-1-tritylpyrazolo[3,4-b]pyridine;1-tritylpyrazolo[3,4-b]pyridine-4-carbothioamide;1-tritylpyrazolo[3,4-b]pyridine-4-carboxamide;1-tritylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 158155841

Frequently Asked Questions

What is the IUPAC name of [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid (CID 160679557) is [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid is CC1CCc2cccnc21.CCN(C(C)C)C(C)C.C[C@@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.C[C@H]1CC[C@H]2CCCNC21.NC1CCc2cccnc21.N[C@H]1CC[C@H]2CCCN(C(=O)c3ccnc(-c4cnn5ccc(-c6ccccc6)nc45)c3)[C@H]21.O=C(O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.O=[Pt]=O.
What is the InChIKey of [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid?
The InChIKey is ALIXSOUNWIKHME-AWBRSZMQSA-N. The full InChI is InChI=1S/2C27H27N5O.C26H26N6O.C18H12N4O2.C9H17N.C9H11N.C8H10N2.C8H19N.2O.Pt/c2*1-18-9-10-20-8-5-14-31(25(18)20)27(33)21-11-13-28-24(16-21)22-17-29-32-15-12-23(30-26(22)32)19-6-3-2-4-7-19;27-21-9-8-18-7-4-13-31(24(18)21)26(33)19-10-12-28-23(15-19)20-16-29-32-14-11-22(30-25(20)32)17-5-2-1-3-6-17;23-18(24)13-6-8-19-16(10-13)14-11-20-22-9-7-15(21-17(14)22)12-4-2-1-3-5-12;2*1-7-4-5-8-3-2-6-10-9(7)8;9-7-4-3-6-2-1-5-10-8(6)7;1-6-9(7(2)3)8(4)5;;;/h2*2-4,6-7,11-13,15-18,20,25H,5,8-10,14H2,1H3;1-3,5-6,10-12,14-16,18,21,24H,4,7-9,13,27H2;1-11H,(H,23,24);7-10H,2-6H2,1H3;2-3,6-7H,4-5H2,1H3;1-2,5,7H,3-4,9H2;7-8H,6H2,1-5H3;;;/t18-,20+,25-;18-,20-,25+;18-,21+,24-;;7-,8+,9?;;;;;;/m011.0....../s1.
What are the key properties of [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid?
[(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid has a molecular weight of 2392.89 g/mol, XLogP of 24.00, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7S,7aR)-7-amino-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7R,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,7S,7aS)-7-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-[2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;(4aS,7S)-7-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine;dioxoplatinum;N-ethyl-N-propan-2-ylpropan-2-amine;7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 160679557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).