sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride

C97H94Cl3F10N26NaO4 — CID 157249967

IUPACsodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride
SMILESCCN1CCN(c2cccc(N)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.Fc1ccc2[nH]ccc2c1.Fc1cnc(Cl)nc1Cl.NC(=O)c1c[nH]c2ccc(F)cc12.NC(=O)c1cn(-c2nc(Cl)ncc2F)c2ccc(F)cc12.[2H]CF.[H-].[Na+]
InChIInChI=1S/2C25H25F2N7O.C13H7ClF2N4O.C12H19N3.C9H7FN2O.C8H6FN.C4HCl2FN2.CH3F.Na.H/c2*1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(27)24(31-25)34-15-20(23(28)35)19-12-16(26)6-7-22(19)34;14-13-18-4-9(16)12(19-13)20-5-8(11(17)21)7-3-6(15)1-2-10(7)20;1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12;10-5-1-2-8-6(3-5)7(4-12-8)9(11)13;9-7-1-2-8-6(5-7)3-4-10-8;5-3-2(7)1-8-4(6)9-3;1-2;;/h2*3-7,12-15H,2,8-11H2,1H3,(H2,28,35)(H,29,30,31);1-5H,(H2,17,21);3-5,10H,2,6-9,13H2,1H3;1-4,12H,(H2,11,13);1-5,10H;1H;1H3;;/q;;;;;;;;+1;-1/i;;;;;;;1D;;
InChIKeyMHTLQSRWJPGSGI-SPKVUICESA-N
MW2008.33 g/mol
LogP14.57
Rot. Bonds17

About sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride

sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride (PubChem CID 157249967) has the molecular formula C97H94Cl3F10N26NaO4 and a molecular weight of 2008.33 g/mol. Its IUPAC name is sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride.

Molecular Properties

Compound Namesodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride
PubChem CID157249967
Molecular FormulaC97H94Cl3F10N26NaO4
Molecular Weight2008.33 g/mol
Exact Mass2005.68
IUPAC Namesodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride
SMILESCCN1CCN(c2cccc(N)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.Fc1ccc2[nH]ccc2c1.Fc1cnc(Cl)nc1Cl.NC(=O)c1c[nH]c2ccc(F)cc12.NC(=O)c1cn(-c2nc(Cl)ncc2F)c2ccc(F)cc12.[2H]CF.[H-].[Na+]
InChIInChI=1S/2C25H25F2N7O.C13H7ClF2N4O.C12H19N3.C9H7FN2O.C8H6FN.C4HCl2FN2.CH3F.Na.H/c2*1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(27)24(31-25)34-15-20(23(28)35)19-12-16(26)6-7-22(19)34;14-13-18-4-9(16)12(19-13)20-5-8(11(17)21)7-3-6(15)1-2-10(7)20;1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12;10-5-1-2-8-6(3-5)7(4-12-8)9(11)13;9-7-1-2-8-6(5-7)3-4-10-8;5-3-2(7)1-8-4(6)9-3;1-2;;/h2*3-7,12-15H,2,8-11H2,1H3,(H2,28,35)(H,29,30,31);1-5H,(H2,17,21);3-5,10H,2,6-9,13H2,1H3;1-4,12H,(H2,11,13);1-5,10H;1H;1H3;;/q;;;;;;;;+1;-1/i;;;;;;;1D;;
InChIKeyMHTLQSRWJPGSGI-SPKVUICESA-N
XLogP14.57
TPSA391.37 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002008.33
LogP ≤ 514.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride?
The IUPAC name of sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride (CID 157249967) is sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride.
What is the SMILES notation for sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride?
The canonical SMILES for sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride is CCN1CCN(c2cccc(N)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.CCN1CCN(c2cccc(Nc3ncc(F)c(-n4cc(C(N)=O)c5cc(F)ccc54)n3)c2)CC1.Fc1ccc2[nH]ccc2c1.Fc1cnc(Cl)nc1Cl.NC(=O)c1c[nH]c2ccc(F)cc12.NC(=O)c1cn(-c2nc(Cl)ncc2F)c2ccc(F)cc12.[2H]CF.[H-].[Na+].
What is the InChIKey of sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride?
The InChIKey is MHTLQSRWJPGSGI-SPKVUICESA-N. The full InChI is InChI=1S/2C25H25F2N7O.C13H7ClF2N4O.C12H19N3.C9H7FN2O.C8H6FN.C4HCl2FN2.CH3F.Na.H/c2*1-2-32-8-10-33(11-9-32)18-5-3-4-17(13-18)30-25-29-14-21(27)24(31-25)34-15-20(23(28)35)19-12-16(26)6-7-22(19)34;14-13-18-4-9(16)12(19-13)20-5-8(11(17)21)7-3-6(15)1-2-10(7)20;1-2-14-6-8-15(9-7-14)12-5-3-4-11(13)10-12;10-5-1-2-8-6(3-5)7(4-12-8)9(11)13;9-7-1-2-8-6(5-7)3-4-10-8;5-3-2(7)1-8-4(6)9-3;1-2;;/h2*3-7,12-15H,2,8-11H2,1H3,(H2,28,35)(H,29,30,31);1-5H,(H2,17,21);3-5,10H,2,6-9,13H2,1H3;1-4,12H,(H2,11,13);1-5,10H;1H;1H3;;/q;;;;;;;;+1;-1/i;;;;;;;1D;;.
What are the key properties of sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride?
sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride has a molecular weight of 2008.33 g/mol, XLogP of 14.57, 17 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoroindole-3-carboxamide;deuterio(fluoro)methane;2,4-dichloro-5-fluoropyrimidine;3-(4-ethylpiperazin-1-yl)aniline;bis(1-[2-[3-(4-ethylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]-5-fluoroindole-3-carboxamide);5-fluoro-1H-indole;5-fluoro-1H-indole-3-carboxamide;hydride is sourced from PubChem (CID 157249967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).