sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid

C101H125BrF4N25NaO5 — CID 160579443

About sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid

sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 160579443) has the molecular formula C101H125BrF4N25NaO5 and a molecular weight of 1949.17 g/mol. Its IUPAC name is sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
• PubChem CID: 160579443
• Molecular Formula: C101H125BrF4N25NaO5
• Molecular Weight: 1949.17 g/mol
• Exact Mass: 1946.94
• IUPAC Name: sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
• SMILES: CCCCCBr.CCCCCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)ccc21.NCCCCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)ccc21.O=C(O)C(F)(F)F.[2H]CF.[H-].[Na+].c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1
• InChI: InChI=1S/C33H40N8O.C32H39N9O.C28H30N8O.C5H11Br.C2HF3O2.CH3F.Na.H/c1-2-3-4-13-39-16-9-26-21-27(7-8-30(26)39)31-36-32(40-17-19-42-20-18-40)29-23-35-41(33(29)37-31)28-10-14-38(15-11-28)24-25-6-5-12-34-22-25;33-10-1-2-12-39-15-7-25-20-26(5-6-29(25)39)30-36-31(40-16-18-42-19-17-40)28-22-35-41(32(28)37-30)27-8-13-38(14-9-27)23-24-4-3-11-34-21-24;1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25;1-2-3-4-5-6;3-2(4,5)1(6)7;1-2;;/h5-9,12,16,21-23,28H,2-4,10-11,13-15,17-20,24H2,1H3;3-7,11,15,20-22,27H,1-2,8-10,12-14,16-19,23,33H2;1-5,8-9,16-18,23,30H,6-7,10-15,19H2;2-5H2,1H3;(H,6,7);1H3;;/q;;;;;;+1;-1/i;;;;;1D
• InChIKey: FUNPWOCFBVFFGR-RLGPSGOWSA-N
• XLogP: 14.91
• TPSA: 305.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1949.17
LogP ≤ 5	14.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid?

The IUPAC name of sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid (CID 160579443) is sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid?

The canonical SMILES for sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid is CCCCCBr.CCCCCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)ccc21.NCCCCn1ccc2cc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6cccnc6)CC5)c4n3)ccc21.O=C(O)C(F)(F)F.[2H]CF.[H-].[Na+].c1cncc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6[nH]ccc6c5)nc43)CC2)c1.

What is the InChIKey of sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid?

The InChIKey is FUNPWOCFBVFFGR-RLGPSGOWSA-N. The full InChI is InChI=1S/C33H40N8O.C32H39N9O.C28H30N8O.C5H11Br.C2HF3O2.CH3F.Na.H/c1-2-3-4-13-39-16-9-26-21-27(7-8-30(26)39)31-36-32(40-17-19-42-20-18-40)29-23-35-41(33(29)37-31)28-10-14-38(15-11-28)24-25-6-5-12-34-22-25;33-10-1-2-12-39-15-7-25-20-26(5-6-29(25)39)30-36-31(40-16-18-42-19-17-40)28-22-35-41(32(28)37-30)27-8-13-38(14-9-27)23-24-4-3-11-34-21-24;1-2-20(17-29-8-1)19-34-10-6-23(7-11-34)36-28-24(18-31-36)27(35-12-14-37-15-13-35)32-26(33-28)22-3-4-25-21(16-22)5-9-30-25;1-2-3-4-5-6;3-2(4,5)1(6)7;1-2;;/h5-9,12,16,21-23,28H,2-4,10-11,13-15,17-20,24H2,1H3;3-7,11,15,20-22,27H,1-2,8-10,12-14,16-19,23,33H2;1-5,8-9,16-18,23,30H,6-7,10-15,19H2;2-5H2,1H3;(H,6,7);1H3;;/q;;;;;;+1;-1/i;;;;;1D;;.

What are the key properties of sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid?

sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 1949.17 g/mol, XLogP of 14.91, 26 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160579443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).