7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide

C95H116Br2N24O9 — CID 159193378

About 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide

7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide (PubChem CID 159193378) has the molecular formula C95H116Br2N24O9 and a molecular weight of 1897.94 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide.

Molecular Properties

• Compound Name: 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide
• PubChem CID: 159193378
• Molecular Formula: C95H116Br2N24O9
• Molecular Weight: 1897.94 g/mol
• Exact Mass: 1894.77
• IUPAC Name: 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide
• SMILES: Br.BrCCCN1CCOCC1.CNc1cc(-c2cnc3n(CCCN4CCOCC4)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)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(-c3cnc4n(CCCN5CCOCC5)cccc3-4)nc12
• InChI: InChI=1S/C34H40N8O3.C27H34N8O3.C27H27N7O2.C7H14BrNO.BrH/c1-39(23-24-8-4-3-5-9-24)31-20-29(37-33-27(22-36-42(31)33)34(43)38-28-11-12-30(28)44-2)26-21-35-32-25(26)10-6-14-41(32)15-7-13-40-16-18-45-19-17-40;1-28-24-15-22(31-26-20(17-30-35(24)26)27(36)32-21-6-7-23(21)37-2)19-16-29-25-18(19)5-3-9-34(25)10-4-8-33-11-13-38-14-12-33;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;8-2-1-3-9-4-6-10-7-5-9;/h3-6,8-10,14,20-22,28,30H,7,11-13,15-19,23H2,1-2H3,(H,38,43);3,5,9,15-17,21,23,28H,4,6-8,10-14H2,1-2H3,(H,32,36);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);1-7H2;1H/t28?,30-;2*21?,23-;;/m000../s1
• InChIKey: GMDAZRFNUBQASF-XGHTXNKESA-N
• XLogP: 11.83
• TPSA: 325.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.94
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide?

The IUPAC name of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide (CID 159193378) is 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide.

What is the SMILES notation for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide?

The canonical SMILES for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide is Br.BrCCCN1CCOCC1.CNc1cc(-c2cnc3n(CCCN4CCOCC4)cccc2-3)nc2c(C(=O)NC3CC[C@@H]3OC)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(-c3cnc4n(CCCN5CCOCC5)cccc3-4)nc12.

What is the InChIKey of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide?

The InChIKey is GMDAZRFNUBQASF-XGHTXNKESA-N. The full InChI is InChI=1S/C34H40N8O3.C27H34N8O3.C27H27N7O2.C7H14BrNO.BrH/c1-39(23-24-8-4-3-5-9-24)31-20-29(37-33-27(22-36-42(31)33)34(43)38-28-11-12-30(28)44-2)26-21-35-32-25(26)10-6-14-41(32)15-7-13-40-16-18-45-19-17-40;1-28-24-15-22(31-26-20(17-30-35(24)26)27(36)32-21-6-7-23(21)37-2)19-16-29-25-18(19)5-3-9-34(25)10-4-8-33-11-13-38-14-12-33;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;8-2-1-3-9-4-6-10-7-5-9;/h3-6,8-10,14,20-22,28,30H,7,11-13,15-19,23H2,1-2H3,(H,38,43);3,5,9,15-17,21,23,28H,4,6-8,10-14H2,1-2H3,(H,32,36);3-9,12-15,21,23H,10-11,16H2,1-2H3,(H,28,29)(H,32,35);1-7H2;1H/t28?,30-;2*21?,23-;;/m000../s1.

What are the key properties of 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide?

7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide has a molecular weight of 1897.94 g/mol, XLogP of 11.83, 30 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[benzyl(methyl)amino]-N-[(2S)-2-methoxycyclobutyl]-5-[7-(3-morpholin-4-ylpropyl)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;4-(3-bromopropyl)morpholine;N-[(2S)-2-methoxycyclobutyl]-7-(methylamino)-5-[7-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrobromide is sourced from PubChem (CID 159193378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).