bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C94H132B2Br2Cl3N17O8 — CID 167600475

About bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167600475) has the molecular formula C94H132B2Br2Cl3N17O8 and a molecular weight of 1915.99 g/mol. Its IUPAC name is bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167600475
• Molecular Formula: C94H132B2Br2Cl3N17O8
• Molecular Weight: 1915.99 g/mol
• Exact Mass: 1911.81
• IUPAC Name: bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: BrCC1CCCC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CCCC5)c4)c(Cl)cnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(Br)c(Cl)cnc3[nH]2)CC1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CC3CCCC3)c2)OC1(C)C.Clc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cnn(CC2CCCC2)c1
• InChI: InChI=1S/C26H34ClN5O2.C21H26ClN5.C17H21BrClN3O2.C15H25BN2O2.C9H15BN2O2.C6H11Br/c1-26(2,3)34-25(33)31-10-8-18(9-11-31)22-12-20-23(21(27)14-28-24(20)30-22)19-13-29-32(16-19)15-17-6-4-5-7-17;22-18-11-24-21-17(9-19(26-21)15-5-7-23-8-6-15)20(18)16-10-25-27(13-16)12-14-3-1-2-4-14;1-17(2,3)24-16(23)22-6-4-10(5-7-22)13-8-11-14(18)12(19)9-20-15(11)21-13;1-14(2)15(3,4)20-16(19-14)13-9-17-18(11-13)10-12-7-5-6-8-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;7-5-6-3-1-2-4-6/h12-14,16-18H,4-11,15H2,1-3H3,(H,28,30);9-11,13-15,23H,1-8,12H2,(H,24,26);8-10H,4-7H2,1-3H3,(H,20,21);9,11-12H,5-8,10H2,1-4H3;5-6H,1-4H3,(H,11,12);6H,1-5H2
• InChIKey: JQTMSFUOPOWAPP-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 276.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1915.99
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167600475) is bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is BrCC1CCCC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(-c4cnn(CC5CCCC5)c4)c(Cl)cnc3[nH]2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc3c(Br)c(Cl)cnc3[nH]2)CC1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(CC3CCCC3)c2)OC1(C)C.Clc1cnc2[nH]c(C3CCNCC3)cc2c1-c1cnn(CC2CCCC2)c1.

What is the InChIKey of bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is JQTMSFUOPOWAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O2.C21H26ClN5.C17H21BrClN3O2.C15H25BN2O2.C9H15BN2O2.C6H11Br/c1-26(2,3)34-25(33)31-10-8-18(9-11-31)22-12-20-23(21(27)14-28-24(20)30-22)19-13-29-32(16-19)15-17-6-4-5-7-17;22-18-11-24-21-17(9-19(26-21)15-5-7-23-8-6-15)20(18)16-10-25-27(13-16)12-14-3-1-2-4-14;1-17(2,3)24-16(23)22-6-4-10(5-7-22)13-8-11-14(18)12(19)9-20-15(11)21-13;1-14(2)15(3,4)20-16(19-14)13-9-17-18(11-13)10-12-7-5-6-8-12;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;7-5-6-3-1-2-4-6/h12-14,16-18H,4-11,15H2,1-3H3,(H,28,30);9-11,13-15,23H,1-8,12H2,(H,24,26);8-10H,4-7H2,1-3H3,(H,20,21);9,11-12H,5-8,10H2,1-4H3;5-6H,1-4H3,(H,11,12);6H,1-5H2.

What are the key properties of bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1915.99 g/mol, XLogP of 21.87, 14 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for bromomethylcyclopentane;tert-butyl 4-(4-bromo-5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate;tert-butyl 4-[5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate;5-chloro-4-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine;1-(cyclopentylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167600475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).