7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate

C135H151IN25O16S- — CID 160893584

IUPAC7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)cc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(COC)C4)c4ncccc34)nc12.COCC1CC(OS(=O)(=O)c2ccc(C)cc2)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)C1.CO[C@H]1CC[C@@H]1C[I-]N
InChIInChI=1S/C33H37N7O3.C30H32N6O3.C28H28N6O3.C25H23N5O2.C13H18O4S.C6H13INO/c1-38(18-21-8-5-4-6-9-21)30-16-28(36-32-25(17-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-19-39(23-14-22(15-23)20-42-2)31-24(26)10-7-13-34-31;1-4-39-30(37)24-16-32-36-27(34(2)17-20-9-6-5-7-10-20)15-26(33-29(24)36)25-18-35(22-13-21(14-22)19-38-3)28-23(25)11-8-12-31-28;1-32(15-18-7-4-3-5-8-18)25-13-24(31-27-22(28(35)36)14-30-34(25)27)23-16-33(20-11-19(12-20)17-37-2)26-21(23)9-6-10-29-26;1-3-32-25(31)21-15-28-30-22(21)12-18(20-14-27-24-19(20)10-7-11-26-24)13-23(30)29(2)16-17-8-5-4-6-9-17;1-10-3-5-13(6-4-10)18(14,15)17-12-7-11(8-12)9-16-2;1-9-6-3-2-5(6)4-7-8/h4-10,13,16-17,19,22-23,27,29H,11-12,14-15,18,20H2,1-3H3,(H,37,41);5-12,15-16,18,21-22H,4,13-14,17,19H2,1-3H3;3-10,13-14,16,19-20H,11-12,15,17H2,1-2H3,(H,35,36);4-15H,3,16H2,1-2H3,(H,26,27);3-6,11-12H,7-9H2,1-2H3;5-6H,2-4,8H2,1H3/q;;;;;-1/t22?,23?,27?,29-;;;;;5-,6+/m0....1/s1
InChIKeyNUCXZKVBCSTZKR-YHAWSQTASA-N
MW2538.82 g/mol
LogP18.91
Rot. Bonds41

About 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate

7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate (PubChem CID 160893584) has the molecular formula C135H151IN25O16S- and a molecular weight of 2538.82 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate
PubChem CID160893584
Molecular FormulaC135H151IN25O16S-
Molecular Weight2538.82 g/mol
Exact Mass2537.05
IUPAC Name7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate
SMILESCCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)cc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(COC)C4)c4ncccc34)nc12.COCC1CC(OS(=O)(=O)c2ccc(C)cc2)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)C1.CO[C@H]1CC[C@@H]1C[I-]N
InChIInChI=1S/C33H37N7O3.C30H32N6O3.C28H28N6O3.C25H23N5O2.C13H18O4S.C6H13INO/c1-38(18-21-8-5-4-6-9-21)30-16-28(36-32-25(17-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-19-39(23-14-22(15-23)20-42-2)31-24(26)10-7-13-34-31;1-4-39-30(37)24-16-32-36-27(34(2)17-20-9-6-5-7-10-20)15-26(33-29(24)36)25-18-35(22-13-21(14-22)19-38-3)28-23(25)11-8-12-31-28;1-32(15-18-7-4-3-5-8-18)25-13-24(31-27-22(28(35)36)14-30-34(25)27)23-16-33(20-11-19(12-20)17-37-2)26-21(23)9-6-10-29-26;1-3-32-25(31)21-15-28-30-22(21)12-18(20-14-27-24-19(20)10-7-11-26-24)13-23(30)29(2)16-17-8-5-4-6-9-17;1-10-3-5-13(6-4-10)18(14,15)17-12-7-11(8-12)9-16-2;1-9-6-3-2-5(6)4-7-8/h4-10,13,16-17,19,22-23,27,29H,11-12,14-15,18,20H2,1-3H3,(H,37,41);5-12,15-16,18,21-22H,4,13-14,17,19H2,1-3H3;3-10,13-14,16,19-20H,11-12,15,17H2,1-2H3,(H,35,36);4-15H,3,16H2,1-2H3,(H,26,27);3-6,11-12H,7-9H2,1-2H3;5-6H,2-4,8H2,1H3/q;;;;;-1/t22?,23?,27?,29-;;;;;5-,6+/m0....1/s1
InChIKeyNUCXZKVBCSTZKR-YHAWSQTASA-N
XLogP18.91
TPSA446.74 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds41
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002538.82
LogP ≤ 518.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate with MolForge

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Related Compounds

7-[benzyl(methyl)amino]-5-[1-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;2-bromo-N,N-dimethylacetamide;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 157165956
tert-butyl (3S,4R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S,4R)-3-fluoro-4-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(4S)-4-fluoropyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 157466073
7-[benzyl(methyl)amino]-N-[(1R,2R)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;(2R,4S)-4-hydroxyoxolane-2-carboxylic acid;methyl (2R,4S)-4-hydroxyoxolane-2-carboxylate;methyl (2R,4S)-4-(4-methylphenyl)sulfonyloxyoxolane-2-carboxylate
CID 157490001
7-[benzyl(methyl)amino]-5-[1-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1R,2R)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(1R,2R)-2-methoxycyclobutyl]-5-[1-[(3R,5R)-5-(methoxymethyl)oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(1R,2R)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl (2R,4R)-4-[3-[7-[benzyl(methyl)amino]-3-[[(1R,2R)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]oxolane-2-carboxylate;methyl (2R,4S)-4-(4-methylphenyl)sulfonyloxyoxolane-2-carboxylate
CID 158289264
7-[benzyl(methyl)amino]-5-[1-[(3R,5R)-5-(hydroxymethyl)oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-N-[(1S,2S)-2-methoxycyclobutyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-5-[1-[(3R,5R)-5-(methoxymethyl)oxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-N-[(1S,2S)-2-methoxycyclobutyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methyl (2R,4R)-4-[3-[7-[benzyl(methyl)amino]-3-[[(1S,2S)-2-methoxycyclobutyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]oxolane-2-carboxylate;methyl (2R,4S)-4-(4-methylphenyl)sulfonyloxyoxolane-2-carboxylate
CID 158289265
ethyl 7-[benzyl(methyl)amino]-5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;bis(ethyl 7-[benzyl(methyl)amino]-5-[1-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 158511931
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane
CID 158751114
(1R)-2-aminocyclobutan-1-ol;7-[benzyl(methyl)amino]-5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;(3R,4S)-3-fluorooxan-4-ol;tris([(3R,4S)-3-fluorooxan-4-yl] 4-methylbenzenesulfonate);[(3S,4R)-3-fluorooxan-4-yl] 4-methylbenzenesulfonate
CID 159195477
cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;7-(dibenzylamino)-N-[(2S)-2-methoxycyclobutyl]-5-[7-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[7-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;bis(ethyl 7-(dibenzylamino)-5-[7-[(3R,4S)-4-methoxyoxolan-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate)
CID 159331218
7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159433106
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;bis(tert-butyl (3S)-3-(4-methylphenyl)sulfonyloxypyrrolidine-1-carboxylate);ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;1-fluoro-2-iodoethane
CID 159621116
carbanide;3,7-dioxabicyclo[4.1.0]heptane;ethyl 7-[benzyl(methyl)amino]-5-[1-[(3R)-3-methoxyoxan-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;(3S,4S)-3-methoxyoxan-4-ol;bis([(3S,4S)-3-methoxyoxan-4-yl] 4-methylbenzenesulfonate);(3S,4S)-3-methoxy-4-phenylmethoxyoxane;palladium;(3S,4S)-4-phenylmethoxyoxan-3-ol
CID 160626788

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate?
The IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate (CID 160893584) is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate.
What is the SMILES notation for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate?
The canonical SMILES for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)cc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CC(COC)C4)c4ncccc34)nc12.COCC1CC(OS(=O)(=O)c2ccc(C)cc2)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)NC5CC[C@@H]5OC)c4n3)c3cccnc32)C1.COCC1CC(n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)C1.CO[C@H]1CC[C@@H]1C[I-]N.
What is the InChIKey of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate?
The InChIKey is NUCXZKVBCSTZKR-YHAWSQTASA-N. The full InChI is InChI=1S/C33H37N7O3.C30H32N6O3.C28H28N6O3.C25H23N5O2.C13H18O4S.C6H13INO/c1-38(18-21-8-5-4-6-9-21)30-16-28(36-32-25(17-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-19-39(23-14-22(15-23)20-42-2)31-24(26)10-7-13-34-31;1-4-39-30(37)24-16-32-36-27(34(2)17-20-9-6-5-7-10-20)15-26(33-29(24)36)25-18-35(22-13-21(14-22)19-38-3)28-23(25)11-8-12-31-28;1-32(15-18-7-4-3-5-8-18)25-13-24(31-27-22(28(35)36)14-30-34(25)27)23-16-33(20-11-19(12-20)17-37-2)26-21(23)9-6-10-29-26;1-3-32-25(31)21-15-28-30-22(21)12-18(20-14-27-24-19(20)10-7-11-26-24)13-23(30)29(2)16-17-8-5-4-6-9-17;1-10-3-5-13(6-4-10)18(14,15)17-12-7-11(8-12)9-16-2;1-9-6-3-2-5(6)4-7-8/h4-10,13,16-17,19,22-23,27,29H,11-12,14-15,18,20H2,1-3H3,(H,37,41);5-12,15-16,18,21-22H,4,13-14,17,19H2,1-3H3;3-10,13-14,16,19-20H,11-12,15,17H2,1-2H3,(H,35,36);4-15H,3,16H2,1-2H3,(H,26,27);3-6,11-12H,7-9H2,1-2H3;5-6H,2-4,8H2,1H3/q;;;;;-1/t22?,23?,27?,29-;;;;;5-,6+/m0....1/s1.
What are the key properties of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate?
7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate has a molecular weight of 2538.82 g/mol, XLogP of 18.91, 41 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cis-(1S,2S)-1-(aminoiodanuidylmethyl)-2-methoxycyclobutane;ethyl 7-[benzyl(methyl)amino]-5-[1-[3-(methoxymethyl)cyclobutyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxylate;[3-(methoxymethyl)cyclobutyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 160893584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).