N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C100H92Cl2F7N33O4 — CID 172921770

IUPACN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34)/b34-15+;31-14+;30-16+;30-13+
InChIKeySIIGNFWQRYWWOK-SNCANRRXSA-N
MW2023.95 g/mol
LogP18.04
Rot. Bonds28

About N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172921770) has the molecular formula C100H92Cl2F7N33O4 and a molecular weight of 2023.95 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172921770
Molecular FormulaC100H92Cl2F7N33O4
Molecular Weight2023.95 g/mol
Exact Mass2021.73
IUPAC NameN-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1
InChIInChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34)/b34-15+;31-14+;30-16+;30-13+
InChIKeySIIGNFWQRYWWOK-SNCANRRXSA-N
XLogP18.04
TPSA417.06 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002023.95
LogP ≤ 518.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[(E)-[5-[3-chloro-4-(5-methyl-1H-pyrazol-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 57945879
5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[4-(1H-pyrazol-5-yl)-3-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]pyrimidin-2-amine
CID 58876699
N-[(E)-[5-[3-chloro-5-(4-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876716
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876720
N-[(E)-[5-(3-chloro-4-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876737
N-[(E)-[5-(3-chloro-5-pyridazin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876844
N-[(E)-[5-(3-chloro-5-pyridazin-3-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876910
N-[(E)-[5-(3-chloro-4-pyrimidin-5-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876923
N-[(E)-[5-[2-chloro-4-(1H-pyrazol-4-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58876931
N-[(E)-[5-(3-chloro-4-pyrazolidin-4-ylanilino)-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877057
N-[(E)-[5-[3-chloro-5-(5-methylpyridazin-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877080
N-[(E)-[5-[3-(3-chloro-5-methylphenyl)-5-(trifluoromethyl)anilino]pyridin-2-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 58877112

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172921770) is N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1=CC(c2ccc(Nc3ccc(/C=N/Nc4ncc(F)c(N5CCOCC5)n4)nc3)cc2Cl)=NC1.Cc1cn[nH]c1-c1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1Cl.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4cccnc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(-c4cccnc4)c3)cn2)nc1N1CCOCC1.
What is the InChIKey of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is SIIGNFWQRYWWOK-SNCANRRXSA-N. The full InChI is InChI=1S/C26H22F4N8O.C25H24ClFN8O.C25H23FN8O.C24H23ClFN9O/c27-23-16-33-25(36-24(23)38-6-8-39-9-7-38)37-34-15-20-3-4-21(14-32-20)35-22-11-18(17-2-1-5-31-13-17)10-19(12-22)26(28,29)30;1-16-10-23(29-12-16)20-5-4-17(11-21(20)26)32-19-3-2-18(28-13-19)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-23-17-29-25(32-24(23)34-9-11-35-12-10-34)33-30-16-21-6-7-22(15-28-21)31-20-5-1-3-18(13-20)19-4-2-8-27-14-19;1-15-11-29-33-22(15)19-5-4-16(10-20(19)25)31-18-3-2-17(27-12-18)13-30-34-24-28-14-21(26)23(32-24)35-6-8-36-9-7-35/h1-5,10-16,35H,6-9H2,(H,33,36,37);2-5,10-11,13-15,32H,6-9,12H2,1H3,(H,30,33,34);1-8,13-17,31H,9-12H2,(H,29,32,33);2-5,10-14,31H,6-9H2,1H3,(H,29,33)(H,28,32,34)/b34-15+;31-14+;30-16+;30-13+.
What are the key properties of N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2023.95 g/mol, XLogP of 18.04, 28 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[3-chloro-4-(4-methyl-1H-pyrazol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-4-(3-methyl-2H-pyrrol-5-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyridin-3-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyridin-3-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172921770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).