5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate

C161H247Br2IN28O16Si8 — CID 159444020

About 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate

5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate (PubChem CID 159444020) has the molecular formula C161H247Br2IN28O16Si8 and a molecular weight of 3342.33 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate
• PubChem CID: 159444020
• Molecular Formula: C161H247Br2IN28O16Si8
• Molecular Weight: 3342.33 g/mol
• Exact Mass: 3337.49
• IUPAC Name: 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.Nc1c(Br)c(C2CCC(N)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C40H59BrN6O4Si2.C40H60N6O4Si2.C29H52IN5O4Si2.C29H53N5O4Si2.C23H23BrN6/c1-40(2,3)51-39(48)44-32-18-15-30(16-19-32)36-35(41)38(46(27-49-21-23-52(4,5)6)28-50-22-24-53(7,8)9)47-37(45-36)33(26-43-47)31-17-20-34(42-25-31)29-13-11-10-12-14-29;1-40(2,3)50-39(47)43-33-18-15-31(16-19-33)36-25-37(45(28-48-21-23-51(4,5)6)29-49-22-24-52(7,8)9)46-38(44-36)34(27-42-46)32-17-20-35(41-26-32)30-13-11-10-12-14-30;1-29(2,3)39-28(36)32-23-12-10-22(11-13-23)25-18-26(35-27(33-25)24(30)19-31-35)34(20-37-14-16-40(4,5)6)21-38-15-17-41(7,8)9;1-29(2,3)38-28(35)31-24-12-10-23(11-13-24)25-20-27(34-26(32-25)14-15-30-34)33(21-36-16-18-39(4,5)6)22-37-17-19-40(7,8)9;24-20-21(15-6-9-17(25)10-7-15)29-23-18(13-28-30(23)22(20)26)16-8-11-19(27-12-16)14-4-2-1-3-5-14/h10-14,17,20,25-26,30,32H,15-16,18-19,21-24,27-28H2,1-9H3,(H,44,48);10-14,17,20,25-27,31,33H,15-16,18-19,21-24,28-29H2,1-9H3,(H,43,47);18-19,22-23H,10-17,20-21H2,1-9H3,(H,32,36);14-15,20,23-24H,10-13,16-19,21-22H2,1-9H3,(H,31,35);1-5,8,11-13,15,17H,6-7,9-10,25-26H2
• InChIKey: LSNNSHXYPUNCGT-UHFFFAOYSA-N
• XLogP: 38.46
• TPSA: 481.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 59
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3342.33
LogP ≤ 5	38.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate?

The IUPAC name of 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate (CID 159444020) is 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate.

What is the SMILES notation for 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate?

The canonical SMILES for 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(-c4ccc(-c5ccccc5)nc4)c3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3ncc(I)c3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1.CC(C)(C)OC(=O)NC1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.Nc1c(Br)c(C2CCC(N)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate?

The InChIKey is LSNNSHXYPUNCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H59BrN6O4Si2.C40H60N6O4Si2.C29H52IN5O4Si2.C29H53N5O4Si2.C23H23BrN6/c1-40(2,3)51-39(48)44-32-18-15-30(16-19-32)36-35(41)38(46(27-49-21-23-52(4,5)6)28-50-22-24-53(7,8)9)47-37(45-36)33(26-43-47)31-17-20-34(42-25-31)29-13-11-10-12-14-29;1-40(2,3)50-39(47)43-33-18-15-31(16-19-33)36-25-37(45(28-48-21-23-51(4,5)6)29-49-22-24-52(7,8)9)46-38(44-36)34(27-42-46)32-17-20-35(41-26-32)30-13-11-10-12-14-30;1-29(2,3)39-28(36)32-23-12-10-22(11-13-23)25-18-26(35-27(33-25)24(30)19-31-35)34(20-37-14-16-40(4,5)6)21-38-15-17-41(7,8)9;1-29(2,3)38-28(35)31-24-12-10-23(11-13-24)25-20-27(34-26(32-25)14-15-30-34)33(21-36-16-18-39(4,5)6)22-37-17-19-40(7,8)9;24-20-21(15-6-9-17(25)10-7-15)29-23-18(13-28-30(23)22(20)26)16-8-11-19(27-12-16)14-4-2-1-3-5-14/h10-14,17,20,25-26,30,32H,15-16,18-19,21-24,27-28H2,1-9H3,(H,44,48);10-14,17,20,25-27,31,33H,15-16,18-19,21-24,28-29H2,1-9H3,(H,43,47);18-19,22-23H,10-17,20-21H2,1-9H3,(H,32,36);14-15,20,23-24H,10-13,16-19,21-22H2,1-9H3,(H,31,35);1-5,8,11-13,15,17H,6-7,9-10,25-26H2.

What are the key properties of 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate?

5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate has a molecular weight of 3342.33 g/mol, XLogP of 38.46, 59 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-aminocyclohexyl)-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-iodopyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 159444020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).