tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane

C98H155BrN10O8Si4Sn — CID 157164657

About tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane

tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane (PubChem CID 157164657) has the molecular formula C98H155BrN10O8Si4Sn and a molecular weight of 1912.34 g/mol. Its IUPAC name is tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane.

Molecular Properties

• Compound Name: tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane
• PubChem CID: 157164657
• Molecular Formula: C98H155BrN10O8Si4Sn
• Molecular Weight: 1912.34 g/mol
• Exact Mass: 1910.93
• IUPAC Name: tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane
• SMILES: C.C/C=C\c1c(C2CCC(C(=O)OC(C)(C)C)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C=C[Sn](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1
• InChI: InChI=1S/C43H63N5O4Si2.C40H58BrN5O4Si2.3C4H9.C2H3.CH4.Sn/c1-11-15-36-39(33-18-20-34(21-19-33)42(49)52-43(2,3)4)46-40-37(35-22-23-38(44-28-35)32-16-13-12-14-17-32)29-45-48(40)41(36)47(30-50-24-26-53(5,6)7)31-51-25-27-54(8,9)10;1-40(2,3)50-39(47)31-17-15-30(16-18-31)36-35(41)38(45(27-48-21-23-51(4,5)6)28-49-22-24-52(7,8)9)46-37(44-36)33(26-43-46)32-19-20-34(42-25-32)29-13-11-10-12-14-29;3*1-3-4-2;1-2;;/h11-17,22-23,28-29,33-34H,18-21,24-27,30-31H2,1-10H3;10-14,19-20,25-26,30-31H,15-18,21-24,27-28H2,1-9H3;3*1,3-4H2,2H3;1H,2H2;1H4;/b15-11-
• InChIKey: AMTQEFSIGYYNMT-FRMSWHQQSA-N
• XLogP: 27.00
• TPSA: 182.16 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 41
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1912.34
LogP ≤ 5	27.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane?

The IUPAC name of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane (CID 157164657) is tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane.

What is the SMILES notation for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane?

The canonical SMILES for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane is C.C/C=C\c1c(C2CCC(C(=O)OC(C)(C)C)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C=C[Sn](CCCC)(CCCC)CCCC.CC(C)(C)OC(=O)C1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1.

What is the InChIKey of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane?

The InChIKey is AMTQEFSIGYYNMT-FRMSWHQQSA-N. The full InChI is InChI=1S/C43H63N5O4Si2.C40H58BrN5O4Si2.3C4H9.C2H3.CH4.Sn/c1-11-15-36-39(33-18-20-34(21-19-33)42(49)52-43(2,3)4)46-40-37(35-22-23-38(44-28-35)32-16-13-12-14-17-32)29-45-48(40)41(36)47(30-50-24-26-53(5,6)7)31-51-25-27-54(8,9)10;1-40(2,3)50-39(47)31-17-15-30(16-18-31)36-35(41)38(45(27-48-21-23-51(4,5)6)28-49-22-24-52(7,8)9)46-37(44-36)33(26-43-46)32-19-20-34(42-25-32)29-13-11-10-12-14-29;3*1-3-4-2;1-2;;/h11-17,22-23,28-29,33-34H,18-21,24-27,30-31H2,1-10H3;10-14,19-20,25-26,30-31H,15-18,21-24,27-28H2,1-9H3;3*1,3-4H2,2H3;1H,2H2;1H4;/b15-11-;;;;;;;.

What are the key properties of tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane?

tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane has a molecular weight of 1912.34 g/mol, XLogP of 27.00, 41 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;tributyl(ethenyl)stannane is sourced from PubChem (CID 157164657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).