9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane

C145H187BrCl2N22O27P2 — CID 167655608

About 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane

9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane (PubChem CID 167655608) has the molecular formula C145H187BrCl2N22O27P2 and a molecular weight of 2882.98 g/mol. Its IUPAC name is 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane.

Molecular Properties

• Compound Name: 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane
• PubChem CID: 167655608
• Molecular Formula: C145H187BrCl2N22O27P2
• Molecular Weight: 2882.98 g/mol
• Exact Mass: 2879.20
• IUPAC Name: 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane
• SMILES: C.COc1cc(N2CCC(N3CCN(CCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCCO)c3C2=O)C(=O)N1.O=CCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.OCCCCCCCCCBr
• InChI: InChI=1S/C50H63ClN9O7P.C28H37ClN7O2P.C22H28N2O6.C22H26N2O6.C13H10N2O5.C9H19BrO.CH4/c1-66-42-32-35(18-19-38(42)54-50-52-33-37(51)46(56-50)53-39-15-9-10-17-43(39)68(2,3)65)58-25-22-34(23-26-58)59-29-27-57(28-30-59)24-11-7-5-4-6-8-12-31-67-41-16-13-14-36-45(41)49(64)60(48(36)63)40-20-21-44(61)55-47(40)62;1-38-25-18-21(35-14-10-20(11-15-35)36-16-12-30-13-17-36)8-9-23(25)33-28-31-19-22(29)27(34-28)32-24-6-4-5-7-26(24)39(2,3)37;2*25-13-6-4-2-1-3-5-7-14-30-17-10-8-9-15-19(17)22(29)24(21(15)28)16-11-12-18(26)23-20(16)27;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;10-8-6-4-2-1-3-5-7-9-11;/h9-10,13-19,32-34,40H,4-8,11-12,20-31H2,1-3H3,(H,55,61,62)(H2,52,53,54,56);4-9,18-20,30H,10-17H2,1-3H3,(H2,31,32,33,34);8-10,16,25H,1-7,11-14H2,(H,23,26,27);8-10,13,16H,1-7,11-12,14H2,(H,23,26,27);1-3,7,16H,4-5H2,(H,14,17,18);11H,1-9H2;1H4
• InChIKey: RFEKIBUEHFCPMA-UHFFFAOYSA-N
• XLogP: 20.54
• TPSA: 620.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 59
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2882.98
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane?

The IUPAC name of 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane (CID 167655608) is 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane.

What is the SMILES notation for 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane?

The canonical SMILES for 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane is C.COc1cc(N2CCC(N3CCN(CCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1.O=C1CCC(N2C(=O)c3cccc(O)c3C2=O)C(=O)N1.O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCCO)c3C2=O)C(=O)N1.O=CCCCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.OCCCCCCCCCBr.

What is the InChIKey of 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane?

The InChIKey is RFEKIBUEHFCPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H63ClN9O7P.C28H37ClN7O2P.C22H28N2O6.C22H26N2O6.C13H10N2O5.C9H19BrO.CH4/c1-66-42-32-35(18-19-38(42)54-50-52-33-37(51)46(56-50)53-39-15-9-10-17-43(39)68(2,3)65)58-25-22-34(23-26-58)59-29-27-57(28-30-59)24-11-7-5-4-6-8-12-31-67-41-16-13-14-36-45(41)49(64)60(48(36)63)40-20-21-44(61)55-47(40)62;1-38-25-18-21(35-14-10-20(11-15-35)36-16-12-30-13-17-36)8-9-23(25)33-28-31-19-22(29)27(34-28)32-24-6-4-5-7-26(24)39(2,3)37;2*25-13-6-4-2-1-3-5-7-14-30-17-10-8-9-15-19(17)22(29)24(21(15)28)16-11-12-18(26)23-20(16)27;16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18;10-8-6-4-2-1-3-5-7-9-11;/h9-10,13-19,32-34,40H,4-8,11-12,20-31H2,1-3H3,(H,55,61,62)(H2,52,53,54,56);4-9,18-20,30H,10-17H2,1-3H3,(H2,31,32,33,34);8-10,16,25H,1-7,11-14H2,(H,23,26,27);8-10,13,16H,1-7,11-12,14H2,(H,23,26,27);1-3,7,16H,4-5H2,(H,14,17,18);11H,1-9H2;1H4.

What are the key properties of 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane?

9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane has a molecular weight of 2882.98 g/mol, XLogP of 20.54, 59 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 9-bromononan-1-ol;4-[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]nonoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine;9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanal;2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-4-(9-hydroxynonoxy)isoindole-1,3-dione;methane is sourced from PubChem (CID 167655608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).