3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C157H161F15N48O9 — CID 172971397

IUPAC3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC1CCN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CC1CNN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)C1.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CCC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F
InChIInChI=1S/C28H28FN7O2.2C27H26FN7O2.3C25H27F4N9O/c1-2-24-18-38-13-12-36(24)27-26(29)17-31-28(34-27)35-32-16-22-10-11-23(15-30-22)33-21-8-6-19(7-9-21)20-4-3-5-25(37)14-20;2*1-18-17-37-12-11-35(18)26-25(28)16-30-27(33-26)34-31-15-22-9-10-23(14-29-22)32-21-7-5-19(6-8-21)20-3-2-4-24(36)13-20;1-16-11-33-38(15-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-12-19)13-32-36-24-31-14-22(26)23(35-24)37-4-6-39-7-5-37;1-16-4-5-38(36-16)21-11-17(25(27,28)29)10-20(12-21)33-19-3-2-18(30-13-19)14-32-35-24-31-15-22(26)23(34-24)37-6-8-39-9-7-37;1-16-4-5-33-38(16)21-11-17(25(27,28)29)10-20(12-21)34-19-3-2-18(30-13-19)14-32-36-24-31-15-22(26)23(35-24)37-6-8-39-9-7-37/h3-11,14-17,24,33,37H,2,12-13,18H2,1H3,(H,31,34,35);2*2-10,13-16,18,32,36H,11-12,17H2,1H3,(H,30,33,34);2-3,8-10,12-14,16,33-34H,4-7,11,15H2,1H3,(H,31,35,36);2-3,10-16,33,36H,4-9H2,1H3,(H,31,34,35);2-3,10-16,33-34H,4-9H2,1H3,(H,31,35,36)/b32-16+;2*31-15+;32-13+;2*32-14+
InChIKeyMJTVTFXMDJHYSH-PNDGKRDLSA-N
MW3149.31 g/mol
LogP27.12
Rot. Bonds43

About 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172971397) has the molecular formula C157H161F15N48O9 and a molecular weight of 3149.31 g/mol. Its IUPAC name is 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID172971397
Molecular FormulaC157H161F15N48O9
Molecular Weight3149.31 g/mol
Exact Mass3147.34
IUPAC Name3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCC1CCN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CC1CNN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)C1.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CCC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F
InChIInChI=1S/C28H28FN7O2.2C27H26FN7O2.3C25H27F4N9O/c1-2-24-18-38-13-12-36(24)27-26(29)17-31-28(34-27)35-32-16-22-10-11-23(15-30-22)33-21-8-6-19(7-9-21)20-4-3-5-25(37)14-20;2*1-18-17-37-12-11-35(18)26-25(28)16-30-27(33-26)34-31-15-22-9-10-23(14-29-22)32-21-7-5-19(6-8-21)20-3-2-4-24(36)13-20;1-16-11-33-38(15-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-12-19)13-32-36-24-31-14-22(26)23(35-24)37-4-6-39-7-5-37;1-16-4-5-38(36-16)21-11-17(25(27,28)29)10-20(12-21)33-19-3-2-18(30-13-19)14-32-35-24-31-15-22(26)23(34-24)37-6-8-39-9-7-37;1-16-4-5-33-38(16)21-11-17(25(27,28)29)10-20(12-21)34-19-3-2-18(30-13-19)14-32-36-24-31-15-22(26)23(35-24)37-6-8-39-9-7-37/h3-11,14-17,24,33,37H,2,12-13,18H2,1H3,(H,31,34,35);2*2-10,13-16,18,32,36H,11-12,17H2,1H3,(H,30,33,34);2-3,8-10,12-14,16,33-34H,4-7,11,15H2,1H3,(H,31,35,36);2-3,10-16,33,36H,4-9H2,1H3,(H,31,34,35);2-3,10-16,33-34H,4-9H2,1H3,(H,31,35,36)/b32-16+;2*31-15+;32-13+;2*32-14+
InChIKeyMJTVTFXMDJHYSH-PNDGKRDLSA-N
XLogP27.12
TPSA631.86 Ų
H-Bond Donors18
H-Bond Acceptors57
Rotatable Bonds43
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003149.31
LogP ≤ 527.12
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
CID 57945927
3-[4-[[6-[(E)-[[5-fluoro-4-[2-(2-methylmorpholin-4-yl)ethylamino]pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 57945938
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-ylpyridin-3-yl]amino]-5-(trifluoromethyl)phenyl]phenol
CID 57945940
3-[4-[[6-[(E)-[[5-fluoro-4-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 57945945
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylpyridin-3-yl]amino]-2-(trifluoromethyl)phenyl]phenol
CID 57945947
3-[4-[[6-[(E)-[[5-fluoro-4-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 57945959
3-[4-[[6-[(E)-[[5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-2-methyl-3-pyridinyl]amino]phenyl]phenol
CID 57945997
3-[[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-methylphenyl]methyl]phenol
CID 57946021
3-[4-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-4-methyl-3-pyridinyl]amino]phenyl]phenol
CID 58876723
3-[4-[[2-ethyl-6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876775
3-[4-[[6-[(E)-[[5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol
CID 58876788
3-[3-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-2-propan-2-yl-3-pyridinyl]amino]phenyl]phenol
CID 58876814

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172971397) is 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is CC1CCN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)N1.CC1CCNN1c1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C(F)(F)F)c1.CC1CNN(c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)C1.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.CCC1COCCN1c1nc(N/N=C/c2ccc(Nc3ccc(-c4cccc(O)c4)cc3)cn2)ncc1F.
What is the InChIKey of 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is MJTVTFXMDJHYSH-PNDGKRDLSA-N. The full InChI is InChI=1S/C28H28FN7O2.2C27H26FN7O2.3C25H27F4N9O/c1-2-24-18-38-13-12-36(24)27-26(29)17-31-28(34-27)35-32-16-22-10-11-23(15-30-22)33-21-8-6-19(7-9-21)20-4-3-5-25(37)14-20;2*1-18-17-37-12-11-35(18)26-25(28)16-30-27(33-26)34-31-15-22-9-10-23(14-29-22)32-21-7-5-19(6-8-21)20-3-2-4-24(36)13-20;1-16-11-33-38(15-16)21-9-17(25(27,28)29)8-20(10-21)34-19-3-2-18(30-12-19)13-32-36-24-31-14-22(26)23(35-24)37-4-6-39-7-5-37;1-16-4-5-38(36-16)21-11-17(25(27,28)29)10-20(12-21)33-19-3-2-18(30-13-19)14-32-35-24-31-15-22(26)23(34-24)37-6-8-39-9-7-37;1-16-4-5-33-38(16)21-11-17(25(27,28)29)10-20(12-21)34-19-3-2-18(30-13-19)14-32-36-24-31-15-22(26)23(35-24)37-6-8-39-9-7-37/h3-11,14-17,24,33,37H,2,12-13,18H2,1H3,(H,31,34,35);2*2-10,13-16,18,32,36H,11-12,17H2,1H3,(H,30,33,34);2-3,8-10,12-14,16,33-34H,4-7,11,15H2,1H3,(H,31,35,36);2-3,10-16,33,36H,4-9H2,1H3,(H,31,34,35);2-3,10-16,33-34H,4-9H2,1H3,(H,31,35,36)/b32-16+;2*31-15+;32-13+;2*32-14+.
What are the key properties of 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 3149.31 g/mol, XLogP of 27.12, 43 rotatable bonds, 18 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-[(E)-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol;bis(3-[4-[[6-[(E)-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]hydrazinylidene]methyl]-3-pyridinyl]amino]phenyl]phenol);5-fluoro-N-[(E)-[5-[3-(3-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(4-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(5-methylpyrazolidin-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172971397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).