1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

C96H96ClFN22O8S — CID 167620146

IUPAC1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Cc5nccs5)CC4)c3[nH]2)cc1.COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1.Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C.O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O3.C24H26ClN7OS.C24H27N5O2.C23H22FN5O2/c31-25(19-8-14-32-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-33-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18;1-30(2)17-5-3-16(4-6-17)23-28-21-22(19(25)14-27-24(21)29-23)32-10-8-31(9-11-32)15-18(33)13-20-26-7-12-34-20;1-17-18(2)25-23-15-22(19-6-4-7-20(14-19)30-3)26-29(23)24(17)28-11-9-27(10-12-28)16-21-8-5-13-31-21;1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h1-8,13-17H,9-12H2;3-7,12,14H,8-11,13,15H2,1-2H3,(H,27,28,29);4-8,13-15H,9-12,16H2,1-3H3;3-7,12-14H,8-11H2,1-2H3
InChIKeyMICDHLNXFVOMOO-UHFFFAOYSA-N
MW1772.49 g/mol
LogP15.59
Rot. Bonds19

About 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine

1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 167620146) has the molecular formula C96H96ClFN22O8S and a molecular weight of 1772.49 g/mol. Its IUPAC name is 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID167620146
Molecular FormulaC96H96ClFN22O8S
Molecular Weight1772.49 g/mol
Exact Mass1770.72
IUPAC Name1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Cc5nccs5)CC4)c3[nH]2)cc1.COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1.Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C.O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1
InChIInChI=1S/C25H21N5O3.C24H26ClN7OS.C24H27N5O2.C23H22FN5O2/c31-25(19-8-14-32-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-33-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18;1-30(2)17-5-3-16(4-6-17)23-28-21-22(19(25)14-27-24(21)29-23)32-10-8-31(9-11-32)15-18(33)13-20-26-7-12-34-20;1-17-18(2)25-23-15-22(19-6-4-7-20(14-19)30-3)26-29(23)24(17)28-11-9-27(10-12-28)16-21-8-5-13-31-21;1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h1-8,13-17H,9-12H2;3-7,12,14H,8-11,13,15H2,1-2H3,(H,27,28,29);4-8,13-15H,9-12,16H2,1-3H3;3-7,12-14H,8-11H2,1-2H3
InChIKeyMICDHLNXFVOMOO-UHFFFAOYSA-N
XLogP15.59
TPSA287.19 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001772.49
LogP ≤ 515.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

3-[2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl]-8-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[5,1-f]purin-5-amine;3-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine;8-(2-fluorophenyl)-3-[2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine;8-(3-fluorophenyl)-3-[2-[4-(2-fluoro-4-propoxyphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine;3-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine;8-(furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine;8-(furan-2-yl)-3-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine;8-phenyl-3-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 160147832
5-chloro-2-morpholin-4-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxamide;1-(1-ethylbenzotriazol-5-yl)-2-(5-pyridin-2-yl-4H-pyrazol-3-yl)ethanone;2-(2-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-(2-methylpropoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;2-(6-methyl-3-pyridinyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-[2-oxo-3-(5-pyridin-2-yl-4H-pyrazol-3-yl)propyl]-1,3-benzoxazol-2-one;N-[3-oxo-3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]propyl]furan-2-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 157153515
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-chloro-4-morpholin-4-ylbenzamide;1-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-(2,6-difluorophenyl)urea;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide
CID 158534944
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]furo[3,2-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]oxazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-2-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,2]thiazolo[4,3-b]pyridine-3-carboxamide;N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide;ethane
CID 159109138
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylfuran-2-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methylthiophene-3-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]thiophene-3-carboxamide;2-chloro-6-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dichloro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160392261
5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,4-dimethylfuran-3-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2H-pyrrol-5-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160913895
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-chloropyridazin-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 162287549
2-[(5-chloro-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(7-methoxy-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(4-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;2-(4-fluorophenyl)-5-[(5-methyl-3H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-1,3,4-oxadiazole;5-(4-fluorophenyl)-N-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1,3,4-oxadiazol-2-amine;2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridine;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3H-pyrrolo[2,3-b]pyridin-6-yl]methanol;[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]methanol;hydrochloride
CID 167681319
3-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenyl-1,3-thiazol-2-yl)methanone;[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylthiophen-2-yl)methanone;4-ethoxy-2-phenylpyrimidine-5-carbaldehyde
CID 173072894

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine (CID 167620146) is 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is CN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Cc5nccs5)CC4)c3[nH]2)cc1.COc1cccc(-c2cc3nc(C)c(C)c(N4CCN(Cc5ccco5)CC4)n3n2)c1.Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCN(C(=O)c3ccco3)CC2)c1C.O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccccc4)nn23)CC1.
What is the InChIKey of 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MICDHLNXFVOMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3.C24H26ClN7OS.C24H27N5O2.C23H22FN5O2/c31-25(19-8-14-32-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-33-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18;1-30(2)17-5-3-16(4-6-17)23-28-21-22(19(25)14-27-24(21)29-23)32-10-8-31(9-11-32)15-18(33)13-20-26-7-12-34-20;1-17-18(2)25-23-15-22(19-6-4-7-20(14-19)30-3)26-29(23)24(17)28-11-9-27(10-12-28)16-21-8-5-13-31-21;1-15-16(2)25-21-14-19(17-5-3-6-18(24)13-17)26-29(21)22(15)27-8-10-28(11-9-27)23(30)20-7-4-12-31-20/h1-8,13-17H,9-12H2;3-7,12,14H,8-11,13,15H2,1-2H3,(H,27,28,29);4-8,13-15H,9-12,16H2,1-3H3;3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine?
1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 1772.49 g/mol, XLogP of 15.59, 19 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-2-one;[4-[2-(3-fluorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-2-yl)methanone;furan-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone;7-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(3-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 167620146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).