4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine

C87H87F2N23O5S — CID 157087300

IUPAC4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)cc2F)CC1.CN1CCN(c2ccc(Nc3ccc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C25H25FN6O.C23H26FN7.C20H20N6O.C19H16N4O3S/c1-30-12-14-31(15-13-30)23-8-6-19(16-20(23)26)29-21-7-9-22(32-11-10-28-25(21)32)17-2-4-18(5-3-17)24(27)33;1-16(2)29-9-11-30(12-10-29)22-5-3-18(13-19(22)24)28-20-4-6-21(17-14-26-27-15-17)31-8-7-25-23(20)31;1-3-17(25-9-11-27-12-10-25)4-2-16(1)24-18-5-6-19(15-13-22-23-14-15)26-8-7-21-20(18)26;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h2-11,16,29H,12-15H2,1H3,(H2,27,33);3-8,13-16,28H,9-12H2,1-2H3,(H,26,27);1-8,13-14,24H,9-12H2,(H,22,23);2-12,22H,1H3,(H,20,24)
InChIKeyAEFWOTWZZZPKAJ-UHFFFAOYSA-N
MW1604.87 g/mol
LogP14.01
Rot. Bonds18

About 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine

4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 157087300) has the molecular formula C87H87F2N23O5S and a molecular weight of 1604.87 g/mol. Its IUPAC name is 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
PubChem CID157087300
Molecular FormulaC87H87F2N23O5S
Molecular Weight1604.87 g/mol
Exact Mass1603.69
IUPAC Name4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)cc2F)CC1.CN1CCN(c2ccc(Nc3ccc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C25H25FN6O.C23H26FN7.C20H20N6O.C19H16N4O3S/c1-30-12-14-31(15-13-30)23-8-6-19(16-20(23)26)29-21-7-9-22(32-11-10-28-25(21)32)17-2-4-18(5-3-17)24(27)33;1-16(2)29-9-11-30(12-10-29)22-5-3-18(13-19(22)24)28-20-4-6-21(17-14-26-27-15-17)31-8-7-25-23(20)31;1-3-17(25-9-11-27-12-10-25)4-2-16(1)24-18-5-6-19(15-13-22-23-14-15)26-8-7-21-20(18)26;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h2-11,16,29H,12-15H2,1H3,(H2,27,33);3-8,13-16,28H,9-12H2,1-2H3,(H,26,27);1-8,13-14,24H,9-12H2,(H,22,23);2-12,22H,1H3,(H,20,24)
InChIKeyAEFWOTWZZZPKAJ-UHFFFAOYSA-N
XLogP14.01
TPSA310.20 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms118
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001604.87
LogP ≤ 514.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine (CID 157087300) is 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine is CC(C)N1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)cc2F)CC1.CN1CCN(c2ccc(Nc3ccc(-c4ccc(C(N)=O)cc4)n4ccnc34)cc2F)CC1.CS(=O)(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.c1cn2c(-c3cn[nH]c3)ccc(Nc3ccc(N4CCOCC4)cc3)c2n1.
What is the InChIKey of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is AEFWOTWZZZPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.C23H26FN7.C20H20N6O.C19H16N4O3S/c1-30-12-14-31(15-13-30)23-8-6-19(16-20(23)26)29-21-7-9-22(32-11-10-28-25(21)32)17-2-4-18(5-3-17)24(27)33;1-16(2)29-9-11-30(12-10-29)22-5-3-18(13-19(22)24)28-20-4-6-21(17-14-26-27-15-17)31-8-7-25-23(20)31;1-3-17(25-9-11-27-12-10-25)4-2-16(1)24-18-5-6-19(15-13-22-23-14-15)26-8-7-21-20(18)26;1-27(25,26)15-4-2-14(3-5-15)22-16-6-7-17(23-11-10-21-19(16)23)13-8-9-20-18(24)12-13/h2-11,16,29H,12-15H2,1H3,(H2,27,33);3-8,13-16,28H,9-12H2,1-2H3,(H,26,27);1-8,13-14,24H,9-12H2,(H,22,23);2-12,22H,1H3,(H,20,24).
What are the key properties of 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine?
4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 1604.87 g/mol, XLogP of 14.01, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(4-morpholin-4-ylphenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 157087300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).