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

C119H129IN31O13- — CID 159433106

About 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

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 (PubChem CID 159433106) has the molecular formula C119H129IN31O13- and a molecular weight of 2328.45 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159433106
• Molecular Formula: C119H129IN31O13-
• Molecular Weight: 2328.45 g/mol
• Exact Mass: 2326.94
• IUPAC Name: 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
• SMILES: CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CN1C[C@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1=O.CNc1cc(-c2cn([C@@H]3CC(=O)N(C)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N
• InChI: InChI=1S/C32H34N8O3.C29H29N7O3.C27H25N7O3.C25H28N8O3.C6H13INO/c1-37(17-20-8-5-4-6-9-20)28-15-26(35-31-23(16-34-40(28)31)32(42)36-25-11-12-27(25)43-3)24-19-39(21-14-29(41)38(2)18-21)30-22(24)10-7-13-33-30;1-4-39-29(38)22-15-31-36-25(33(2)16-19-9-6-5-7-10-19)14-24(32-28(22)36)23-18-35(20-13-26(37)34(3)17-20)27-21(23)11-8-12-30-27;1-31(14-17-7-4-3-5-8-17)23-12-22(30-26-20(27(36)37)13-29-34(23)26)21-16-33(18-11-24(35)32(2)15-18)25-19(21)9-6-10-28-25;1-26-21-10-19(29-24-16(11-28-33(21)24)25(35)30-18-6-7-20(18)36-3)17-13-32(14-9-22(34)31(2)12-14)23-15(17)5-4-8-27-23;1-9-6-3-2-5(6)4-7-8/h4-10,13,15-16,19,21,25,27H,11-12,14,17-18H2,1-3H3,(H,36,42);5-12,14-15,18,20H,4,13,16-17H2,1-3H3;3-10,12-13,16,18H,11,14-15H2,1-2H3,(H,36,37);4-5,8,10-11,13-14,18,20,26H,6-7,9,12H2,1-3H3,(H,30,35);5-6H,2-4,8H2,1H3/q;;;;-1/t21-,25?,27+;20-;18-;14-,18?,20+;5-,6+/m11111/s1
• InChIKey: KZXGBSYBPISXEG-LXFOXACKSA-N
• XLogP: 10.61
• TPSA: 470.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2328.45
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

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]-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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CN1C[C@H](n2cc(-c3cc(N(C)Cc4ccccc4)n4ncc(C(=O)O)c4n3)c3cccnc32)CC1=O.CNc1cc(-c2cn([C@@H]3CC(=O)N(C)C3)c3ncccc23)nc2c(C(=O)NC3CC[C@@H]3OC)cnn12.CO[C@H]1CCC1NC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CC(=O)N(C)C4)c4ncccc34)nc12.CO[C@H]1CC[C@@H]1C[I-]N.

What is the InChIKey of 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?

The InChIKey is KZXGBSYBPISXEG-LXFOXACKSA-N. The full InChI is InChI=1S/C32H34N8O3.C29H29N7O3.C27H25N7O3.C25H28N8O3.C6H13INO/c1-37(17-20-8-5-4-6-9-20)28-15-26(35-31-23(16-34-40(28)31)32(42)36-25-11-12-27(25)43-3)24-19-39(21-14-29(41)38(2)18-21)30-22(24)10-7-13-33-30;1-4-39-29(38)22-15-31-36-25(33(2)16-19-9-6-5-7-10-19)14-24(32-28(22)36)23-18-35(20-13-26(37)34(3)17-20)27-21(23)11-8-12-30-27;1-31(14-17-7-4-3-5-8-17)23-12-22(30-26-20(27(36)37)13-29-34(23)26)21-16-33(18-11-24(35)32(2)15-18)25-19(21)9-6-10-28-25;1-26-21-10-19(29-24-16(11-28-33(21)24)25(35)30-18-6-7-20(18)36-3)17-13-32(14-9-22(34)31(2)12-14)23-15(17)5-4-8-27-23;1-9-6-3-2-5(6)4-7-8/h4-10,13,15-16,19,21,25,27H,11-12,14,17-18H2,1-3H3,(H,36,42);5-12,14-15,18,20H,4,13,16-17H2,1-3H3;3-10,12-13,16,18H,11,14-15H2,1-2H3,(H,36,37);4-5,8,10-11,13-14,18,20,26H,6-7,9,12H2,1-3H3,(H,30,35);5-6H,2-4,8H2,1H3/q;;;;-1/t21-,25?,27+;20-;18-;14-,18?,20+;5-,6+/m11111/s1.

What are the key properties of 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?

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 has a molecular weight of 2328.45 g/mol, XLogP of 10.61, 30 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159433106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).