1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide

C140H151N31O18 — CID 158997650

IUPAC1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1)[C@@H](C)O.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(CO)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCOCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C30H33N7O4.C28H32N6O4.C28H30N6O4.C28H30N6O3.C26H26N6O3/c1-17(38)25-27(21-11-13-36(14-12-21)30(41)26(18(2)39)34-19(3)40)35-29-23(16-33-37(29)28(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-16-4-5-22-19(10-16)11-20(12-30-22)21-13-31-34-25(29)23(17(2)37)24(32-26(21)34)18-6-8-33(9-7-18)27(38)28(3,14-35)15-36;1-17(37)24-25(19-9-11-33(12-10-19)28(38)21(15-35)16-36)32-27-22(14-31-34(27)26(24)29)20-7-8-23(30-13-20)18-5-3-2-4-6-18;1-3-37-17-24(36)33-13-11-20(12-14-33)26-25(18(2)35)27(29)34-28(32-26)22(16-31-34)21-9-10-23(30-15-21)19-7-5-4-6-8-19;1-16(34)23-24(18-9-11-31(12-10-18)22(35)15-33)30-26-20(14-29-32(26)25(23)27)19-7-8-21(28-13-19)17-5-3-2-4-6-17/h4-10,15-16,18,21,26,39H,11-14,31H2,1-3H3,(H,34,40);4-5,10-13,18,35-36H,6-9,14-15,29H2,1-3H3;2-8,13-14,19,21,35-36H,9-12,15-16,29H2,1H3;4-10,15-16,20H,3,11-14,17,29H2,1-2H3;2-8,13-14,18,33H,9-12,15,27H2,1H3/t18-,26+;;;;/m1..../s1
InChIKeyJQYBHCLCIROABN-XGOPQYJMSA-N
MW2555.95 g/mol
LogP15.05
Rot. Bonds32

About 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide

1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide (PubChem CID 158997650) has the molecular formula C140H151N31O18 and a molecular weight of 2555.95 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
PubChem CID158997650
Molecular FormulaC140H151N31O18
Molecular Weight2555.95 g/mol
Exact Mass2554.19
IUPAC Name1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1)[C@@H](C)O.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(CO)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCOCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1
InChIInChI=1S/C30H33N7O4.C28H32N6O4.C28H30N6O4.C28H30N6O3.C26H26N6O3/c1-17(38)25-27(21-11-13-36(14-12-21)30(41)26(18(2)39)34-19(3)40)35-29-23(16-33-37(29)28(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-16-4-5-22-19(10-16)11-20(12-30-22)21-13-31-34-25(29)23(17(2)37)24(32-26(21)34)18-6-8-33(9-7-18)27(38)28(3,14-35)15-36;1-17(37)24-25(19-9-11-33(12-10-19)28(38)21(15-35)16-36)32-27-22(14-31-34(27)26(24)29)20-7-8-23(30-13-20)18-5-3-2-4-6-18;1-3-37-17-24(36)33-13-11-20(12-14-33)26-25(18(2)35)27(29)34-28(32-26)22(16-31-34)21-9-10-23(30-15-21)19-7-5-4-6-8-19;1-16(34)23-24(18-9-11-31(12-10-18)22(35)15-33)30-26-20(14-29-32(26)25(23)27)19-7-8-21(28-13-19)17-5-3-2-4-6-17/h4-10,15-16,18,21,26,39H,11-14,31H2,1-3H3,(H,34,40);4-5,10-13,18,35-36H,6-9,14-15,29H2,1-3H3;2-8,13-14,19,21,35-36H,9-12,15-16,29H2,1H3;4-10,15-16,20H,3,11-14,17,29H2,1-2H3;2-8,13-14,18,33H,9-12,15,27H2,1H3/t18-,26+;;;;/m1..../s1
InChIKeyJQYBHCLCIROABN-XGOPQYJMSA-N
XLogP15.05
TPSA692.11 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds32
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002555.95
LogP ≤ 515.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Analyze 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

CID 157602215
CID 157602215
(2R)-1-[4-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxy-3-methoxy-2-(methoxymethyl)propan-1-one;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1,3-oxazol-5-yl)methanone;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 158948665
CID 159576460
CID 159576460
(1R,5R,22R,25S)-16-acetyl-3,5-dimethyl-13-(2-methylpyrimidin-5-yl)-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[2-(trifluoromethoxy)ethyl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[(2S)-1-(trifluoromethoxy)propan-2-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-4,20-dioxo-N-[(2R)-1-(trifluoromethoxy)propan-2-yl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
CID 159593795
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[2-[2-[(3R,4R)-4-[[[4-[[2-[6-[(4-fluoro-2-methylidene-3-oxobutyl)amino]isoquinolin-1-yl]phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]methyl]-3-hydroxypiperidin-1-yl]ethoxy]ethoxy]ethyl]acetamide
CID 166139443
(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-1-methoxypropan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide;(5S,7R,11R)-22-acetyl-7-fluoro-11-methyl-19-(2-methylpyrimidin-5-yl)-5-[2-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-3,10-dione;(5S,7R)-22-acetyl-7-fluoro-N-[(2R)-4-methylpentan-2-yl]-19-(2-methylpyrimidin-5-yl)-3,10-dioxo-1,4,23-triazatetracyclo[15.6.1.14,7.021,24]pentacosa-17(24),18,20,22-tetraene-5-carboxamide
CID 167665574
CID 167695063
CID 167695063
12-[3-[5-[8-(2,6-Dimethylmorpholin-4-yl)-10-oxo-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-5-yl]-2-pyridinyl]phenyl]-8-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 137127915
1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[3-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-5-(1-methylsulfonylpyrrolidin-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157080524
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylindazol-3-amine
CID 157145128
7-(6-acetyl-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;1-[7-amino-5-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 157257331
N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-3-methylnaphthalene-2-carboxamide;N-[[4-[4-amino-1-(4-hydroxycyclopent-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 157271329

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide (CID 158997650) is 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide is CC(=O)N[C@H](C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1)[C@@H](C)O.CC(=O)c1c(C2CCN(C(=O)C(C)(CO)CO)CC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)C(CO)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCOCC(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(C)=O)CC1.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The InChIKey is JQYBHCLCIROABN-XGOPQYJMSA-N. The full InChI is InChI=1S/C30H33N7O4.C28H32N6O4.C28H30N6O4.C28H30N6O3.C26H26N6O3/c1-17(38)25-27(21-11-13-36(14-12-21)30(41)26(18(2)39)34-19(3)40)35-29-23(16-33-37(29)28(25)31)22-9-10-24(32-15-22)20-7-5-4-6-8-20;1-16-4-5-22-19(10-16)11-20(12-30-22)21-13-31-34-25(29)23(17(2)37)24(32-26(21)34)18-6-8-33(9-7-18)27(38)28(3,14-35)15-36;1-17(37)24-25(19-9-11-33(12-10-19)28(38)21(15-35)16-36)32-27-22(14-31-34(27)26(24)29)20-7-8-23(30-13-20)18-5-3-2-4-6-18;1-3-37-17-24(36)33-13-11-20(12-14-33)26-25(18(2)35)27(29)34-28(32-26)22(16-31-34)21-9-10-23(30-15-21)19-7-5-4-6-8-19;1-16(34)23-24(18-9-11-31(12-10-18)22(35)15-33)30-26-20(14-29-32(26)25(23)27)19-7-8-21(28-13-19)17-5-3-2-4-6-17/h4-10,15-16,18,21,26,39H,11-14,31H2,1-3H3,(H,34,40);4-5,10-13,18,35-36H,6-9,14-15,29H2,1-3H3;2-8,13-14,19,21,35-36H,9-12,15-16,29H2,1H3;4-10,15-16,20H,3,11-14,17,29H2,1-2H3;2-8,13-14,18,33H,9-12,15,27H2,1H3/t18-,26+;;;;/m1..../s1.
What are the key properties of 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide has a molecular weight of 2555.95 g/mol, XLogP of 15.05, 32 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-ethoxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)propan-1-one;N-[(2S,3R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 158997650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).