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

C105H115N21O20S — CID 157490001

About 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

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 (PubChem CID 157490001) has the molecular formula C105H115N21O20S and a molecular weight of 2023.27 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157490001
• Molecular Formula: C105H115N21O20S
• Molecular Weight: 2023.27 g/mol
• Exact Mass: 2021.83
• IUPAC Name: 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
• SMILES: COC(=O)[C@H]1C[C@H](O)CO1.COC(=O)[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)CO1.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.O=C(O)[C@H]1C[C@H](O)CO1
• InChI: InChI=1S/3C27H27N7O2.C13H16O6S.C6H10O4.C5H8O4/c3*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;1-9-6(8)5-2-4(7)3-10-5;6-3-1-4(5(7)8)9-2-3/h3*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;4-5,7H,2-3H2,1H3;3-4,6H,1-2H2,(H,7,8)/t21?,23-;2*21-,23-;10-,12+;4-,5+;3-,4+/m010000/s1
• InChIKey: BXDSJRMGSPFKHD-MFFATKTISA-N
• XLogP: 11.01
• TPSA: 502.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2023.27
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COC(=O)[C@H]1C[C@H](O)CO1.COC(=O)[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)CO1.CO[C@@H]1CC[C@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CC[C@@H]1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.O=C(O)[C@H]1C[C@H](O)CO1.

What is the InChIKey of 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?

The InChIKey is BXDSJRMGSPFKHD-MFFATKTISA-N. The full InChI is InChI=1S/3C27H27N7O2.C13H16O6S.C6H10O4.C5H8O4/c3*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;1-9-6(8)5-2-4(7)3-10-5;6-3-1-4(5(7)8)9-2-3/h3*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;4-5,7H,2-3H2,1H3;3-4,6H,1-2H2,(H,7,8)/t21?,23-;2*21-,23-;10-,12+;4-,5+;3-,4+/m010000/s1.

What are the key properties of 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?

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 has a molecular weight of 2023.27 g/mol, XLogP of 11.01, 27 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157490001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).