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

C114H122BrIN29O11- — CID 157165956

About 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

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 (PubChem CID 157165956) has the molecular formula C114H122BrIN29O11- and a molecular weight of 2281.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157165956
• Molecular Formula: C114H122BrIN29O11-
• Molecular Weight: 2281.23 g/mol
• Exact Mass: 2278.81
• IUPAC Name: 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
• SMILES: CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CN(C)C(=O)CBr.CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)O)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(CC(=O)N(C)C)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N
• InChI: InChI=1S/C31H34N8O3.C27H27N7O2.C24H22N6O2.C22H18N6O2.C6H13INO.C4H8BrNO/c1-36(2)28(40)19-38-18-23(21-11-8-14-32-29(21)38)25-15-27(37(3)17-20-9-6-5-7-10-20)39-30(34-25)22(16-33-39)31(41)35-24-12-13-26(24)42-4;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;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;1-27(13-14-6-3-2-4-7-14)19-10-18(16-11-24-20-15(16)8-5-9-23-20)26-21-17(22(29)30)12-25-28(19)21;1-9-6-3-2-5(6)4-7-8;1-6(2)4(7)3-5/h5-11,14-16,18,24,26H,12-13,17,19H2,1-4H3,(H,35,41);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);4-14H,3,15H2,1-2H3,(H,25,26);2-12H,13H2,1H3,(H,23,24)(H,29,30);5-6H,2-4,8H2,1H3;3H2,1-2H3/q;;;;-1;/t24?,26-;21?,23-;;;5-,6+;/m00..1./s1
• InChIKey: NZPVWFBXCOCHTQ-HNMHNRCLSA-N
• XLogP: 12.73
• TPSA: 453.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2281.23
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

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'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CN(C)C(=O)CBr.CN(Cc1ccccc1)c1cc(-c2c[nH]c3ncccc23)nc2c(C(=O)O)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(CC(=O)N(C)C)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N.

What is the InChIKey of 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?

The InChIKey is NZPVWFBXCOCHTQ-HNMHNRCLSA-N. The full InChI is InChI=1S/C31H34N8O3.C27H27N7O2.C24H22N6O2.C22H18N6O2.C6H13INO.C4H8BrNO/c1-36(2)28(40)19-38-18-23(21-11-8-14-32-29(21)38)25-15-27(37(3)17-20-9-6-5-7-10-20)39-30(34-25)22(16-33-39)31(41)35-24-12-13-26(24)42-4;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;1-3-32-24(31)19-14-27-30-21(29(2)15-16-8-5-4-6-9-16)12-20(28-23(19)30)18-13-26-22-17(18)10-7-11-25-22;1-27(13-14-6-3-2-4-7-14)19-10-18(16-11-24-20-15(16)8-5-9-23-20)26-21-17(22(29)30)12-25-28(19)21;1-9-6-3-2-5(6)4-7-8;1-6(2)4(7)3-5/h5-11,14-16,18,24,26H,12-13,17,19H2,1-4H3,(H,35,41);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);4-14H,3,15H2,1-2H3,(H,25,26);2-12H,13H2,1H3,(H,23,24)(H,29,30);5-6H,2-4,8H2,1H3;3H2,1-2H3/q;;;;-1;/t24?,26-;21?,23-;;;5-,6+;/m00..1./s1.

What are the key properties of 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?

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 has a molecular weight of 2281.23 g/mol, XLogP of 12.73, 31 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157165956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).