ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane

C118H124N24O12 — CID 158080045

About ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane

ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane (PubChem CID 158080045) has the molecular formula C118H124N24O12 and a molecular weight of 2070.45 g/mol. Its IUPAC name is ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane.

Molecular Properties

• Compound Name: ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane
• PubChem CID: 158080045
• Molecular Formula: C118H124N24O12
• Molecular Weight: 2070.45 g/mol
• Exact Mass: 2068.98
• IUPAC Name: ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane
• SMILES: C1CC2OC2C1.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CCC[C@H]4O)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CCC[C@H]4OC)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCC[C@H]4OC)c4ncccc34)nc12
• InChI: InChI=1S/2C30H32N6O3.C29H30N6O3.C24H22N6O2.C5H8O/c2*1-4-39-30(37)22-17-32-36-27(34(2)18-20-10-6-5-7-11-20)16-24(33-29(22)36)23-19-35(25-13-8-14-26(25)38-3)28-21(23)12-9-15-31-28;1-3-38-29(37)21-16-31-35-26(33(2)17-19-9-5-4-6-10-19)15-23(32-28(21)35)22-18-34(24-12-7-13-25(24)36)27-20(22)11-8-14-30-27;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;1-2-4-5(3-1)6-4/h2*5-7,9-12,15-17,19,25-26H,4,8,13-14,18H2,1-3H3;4-6,8-11,14-16,18,24-25,36H,3,7,12-13,17H2,1-2H3;4-14H,3,15H2,1-2H3,(H,25,26);4-5H,1-3H2/t25?,26-;25-,26-;24?,25-;;/m111../s1
• InChIKey: FMVOEJJAWPRSCB-HMEODBLBSA-N
• XLogP: 20.27
• TPSA: 372.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.45
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane?

The IUPAC name of ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane (CID 158080045) is ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane.

What is the SMILES notation for ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane?

The canonical SMILES for ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane is C1CC2OC2C1.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3c[nH]c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CCC[C@H]4O)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn(C4CCC[C@H]4OC)c4ncccc34)nc12.CCOC(=O)c1cnn2c(N(C)Cc3ccccc3)cc(-c3cn([C@@H]4CCC[C@H]4OC)c4ncccc34)nc12.

What is the InChIKey of ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane?

The InChIKey is FMVOEJJAWPRSCB-HMEODBLBSA-N. The full InChI is InChI=1S/2C30H32N6O3.C29H30N6O3.C24H22N6O2.C5H8O/c2*1-4-39-30(37)22-17-32-36-27(34(2)18-20-10-6-5-7-11-20)16-24(33-29(22)36)23-19-35(25-13-8-14-26(25)38-3)28-21(23)12-9-15-31-28;1-3-38-29(37)21-16-31-35-26(33(2)17-19-9-5-4-6-10-19)15-23(32-28(21)35)22-18-34(24-12-7-13-25(24)36)27-20(22)11-8-14-30-27;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;1-2-4-5(3-1)6-4/h2*5-7,9-12,15-17,19,25-26H,4,8,13-14,18H2,1-3H3;4-6,8-11,14-16,18,24-25,36H,3,7,12-13,17H2,1-2H3;4-14H,3,15H2,1-2H3,(H,25,26);4-5H,1-3H2/t25?,26-;25-,26-;24?,25-;;/m111../s1.

What are the key properties of ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane?

ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane has a molecular weight of 2070.45 g/mol, XLogP of 20.27, 29 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-hydroxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(1R,2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2R)-2-methoxycyclopentyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 158080045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).