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

C138H150N28O21S — CID 158289264

IUPAC7-[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
SMILESCOC(=O)[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.COC(=O)[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)CO1.COC[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@H]4CO[C@@H](CO)C4)c4ncccc34)nc12
InChIInChI=1S/C33H35N7O5.C33H37N7O4.C32H35N7O4.C27H27N7O2.C13H16O6S/c1-38(17-20-8-5-4-6-9-20)29-15-26(36-31-23(16-35-40(29)31)32(41)37-25-11-12-27(25)43-2)24-18-39(30-22(24)10-7-13-34-30)21-14-28(45-19-21)33(42)44-3;1-38(17-21-8-5-4-6-9-21)30-15-28(36-32-25(16-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-18-39(31-24(26)10-7-13-34-31)22-14-23(20-42-2)44-19-22;1-37(16-20-7-4-3-5-8-20)29-14-27(35-31-24(15-34-39(29)31)32(41)36-26-10-11-28(26)42-2)25-17-38(21-13-22(18-40)43-19-21)30-23(25)9-6-12-33-30;1-33(16-17-7-4-3-5-8-17)24-13-22(19-14-29-25-18(19)9-6-12-28-25)31-26-20(15-30-34(24)26)27(35)32-21-10-11-23(21)36-2;1-9-3-5-11(6-4-9)20(15,16)19-10-7-12(18-8-10)13(14)17-2/h4-10,13,15-16,18,21,25,27-28H,11-12,14,17,19H2,1-3H3,(H,37,41);4-10,13,15-16,18,22-23,27,29H,11-12,14,17,19-20H2,1-3H3,(H,37,41);3-9,12,14-15,17,21-22,26,28,40H,10-11,13,16,18-19H2,1-2H3,(H,36,41);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);3-6,10,12H,7-8H2,1-2H3/t21-,25-,27-,28-;22-,23-,27-,29-;21-,22-,26-,28-;21-,23-;10-,12+/m11110/s1
InChIKeyGLDQIZJYSHUYLD-GZJPHGFLSA-N
MW2568.96 g/mol
LogP16.52
Rot. Bonds39

About 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

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 (PubChem CID 158289264) has the molecular formula C138H150N28O21S and a molecular weight of 2568.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID158289264
Molecular FormulaC138H150N28O21S
Molecular Weight2568.96 g/mol
Exact Mass2567.13
IUPAC Name7-[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
SMILESCOC(=O)[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.COC(=O)[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)CO1.COC[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@H]4CO[C@@H](CO)C4)c4ncccc34)nc12
InChIInChI=1S/C33H35N7O5.C33H37N7O4.C32H35N7O4.C27H27N7O2.C13H16O6S/c1-38(17-20-8-5-4-6-9-20)29-15-26(36-31-23(16-35-40(29)31)32(41)37-25-11-12-27(25)43-2)24-18-39(30-22(24)10-7-13-34-30)21-14-28(45-19-21)33(42)44-3;1-38(17-21-8-5-4-6-9-21)30-15-28(36-32-25(16-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-18-39(31-24(26)10-7-13-34-31)22-14-23(20-42-2)44-19-22;1-37(16-20-7-4-3-5-8-20)29-14-27(35-31-24(15-34-39(29)31)32(41)36-26-10-11-28(26)42-2)25-17-38(21-13-22(18-40)43-19-21)30-23(25)9-6-12-33-30;1-33(16-17-7-4-3-5-8-17)24-13-22(19-14-29-25-18(19)9-6-12-28-25)31-26-20(15-30-34(24)26)27(35)32-21-10-11-23(21)36-2;1-9-3-5-11(6-4-9)20(15,16)19-10-7-12(18-8-10)13(14)17-2/h4-10,13,15-16,18,21,25,27-28H,11-12,14,17,19H2,1-3H3,(H,37,41);4-10,13,15-16,18,22-23,27,29H,11-12,14,17,19-20H2,1-3H3,(H,37,41);3-9,12,14-15,17,21-22,26,28,40H,10-11,13,16,18-19H2,1-2H3,(H,36,41);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);3-6,10,12H,7-8H2,1-2H3/t21-,25-,27-,28-;22-,23-,27-,29-;21-,22-,26-,28-;21-,23-;10-,12+/m11110/s1
InChIKeyGLDQIZJYSHUYLD-GZJPHGFLSA-N
XLogP16.52
TPSA531.53 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds39
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.96
LogP ≤ 516.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.COC(=O)[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)CO1.COC[C@H]1C[C@@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)N[C@@H]5CC[C@H]5OC)c4n3)c3cccnc32)CO1.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@H]4CO[C@@H](CO)C4)c4ncccc34)nc12.
What is the InChIKey of 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?
The InChIKey is GLDQIZJYSHUYLD-GZJPHGFLSA-N. The full InChI is InChI=1S/C33H35N7O5.C33H37N7O4.C32H35N7O4.C27H27N7O2.C13H16O6S/c1-38(17-20-8-5-4-6-9-20)29-15-26(36-31-23(16-35-40(29)31)32(41)37-25-11-12-27(25)43-2)24-18-39(30-22(24)10-7-13-34-30)21-14-28(45-19-21)33(42)44-3;1-38(17-21-8-5-4-6-9-21)30-15-28(36-32-25(16-35-40(30)32)33(41)37-27-11-12-29(27)43-3)26-18-39(31-24(26)10-7-13-34-31)22-14-23(20-42-2)44-19-22;1-37(16-20-7-4-3-5-8-20)29-14-27(35-31-24(15-34-39(29)31)32(41)36-26-10-11-28(26)42-2)25-17-38(21-13-22(18-40)43-19-21)30-23(25)9-6-12-33-30;1-33(16-17-7-4-3-5-8-17)24-13-22(19-14-29-25-18(19)9-6-12-28-25)31-26-20(15-30-34(24)26)27(35)32-21-10-11-23(21)36-2;1-9-3-5-11(6-4-9)20(15,16)19-10-7-12(18-8-10)13(14)17-2/h4-10,13,15-16,18,21,25,27-28H,11-12,14,17,19H2,1-3H3,(H,37,41);4-10,13,15-16,18,22-23,27,29H,11-12,14,17,19-20H2,1-3H3,(H,37,41);3-9,12,14-15,17,21-22,26,28,40H,10-11,13,16,18-19H2,1-2H3,(H,36,41);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);3-6,10,12H,7-8H2,1-2H3/t21-,25-,27-,28-;22-,23-,27-,29-;21-,22-,26-,28-;21-,23-;10-,12+/m11110/s1.
What are the key properties of 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?
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 has a molecular weight of 2568.96 g/mol, XLogP of 16.52, 39 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158289264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).