N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide

C100H98FN25O5S — CID 159579775

About N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide

N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide (PubChem CID 159579775) has the molecular formula C100H98FN25O5S and a molecular weight of 1781.12 g/mol. Its IUPAC name is N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
• PubChem CID: 159579775
• Molecular Formula: C100H98FN25O5S
• Molecular Weight: 1781.12 g/mol
• Exact Mass: 1779.79
• IUPAC Name: N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide
• SMILES: CC(C)N1CCN(c2ccc(Nc3ccc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1.CN(CCCNC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)c1ccccc1.CN1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)c(F)c2)CC1.O=C(NCc1cccnc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
• InChI: InChI=1S/C29H28N6O2.C25H20N6O2.C25H28N6OS.C21H22FN7/c1-34(24-6-3-2-4-7-24)18-5-15-32-29(37)21-8-10-23(11-9-21)33-25-12-13-26(35-19-17-31-28(25)35)22-14-16-30-27(36)20-22;32-23-14-19(9-11-27-23)22-8-7-21(24-28-12-13-31(22)24)30-20-5-3-18(4-6-20)25(33)29-16-17-2-1-10-26-15-17;1-17(2)29-11-13-30(14-12-29)20-5-3-19(4-6-20)28-21-7-8-22(31-10-9-27-25(21)31)18-15-23(24(26)32)33-16-18;1-27-8-10-28(11-9-27)16-2-3-18(17(22)12-16)26-19-4-5-20(15-13-24-25-14-15)29-7-6-23-21(19)29/h2-4,6-14,16-17,19-20,33H,5,15,18H2,1H3,(H,30,36)(H,32,37);1-15,30H,16H2,(H,27,32)(H,29,33);3-10,15-17,28H,11-14H2,1-2H3,(H2,26,32);2-7,12-14,26H,8-11H2,1H3,(H,24,25)
• InChIKey: MIWDCBPVHFGSFN-UHFFFAOYSA-N
• XLogP: 16.24
• TPSA: 342.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1781.12
LogP ≤ 5	16.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?

The IUPAC name of N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide (CID 159579775) is N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide is CC(C)N1CCN(c2ccc(Nc3ccc(-c4csc(C(N)=O)c4)n4ccnc34)cc2)CC1.CN(CCCNC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)c1ccccc1.CN1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)c(F)c2)CC1.O=C(NCc1cccnc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.

What is the InChIKey of N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?

The InChIKey is MIWDCBPVHFGSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2.C25H20N6O2.C25H28N6OS.C21H22FN7/c1-34(24-6-3-2-4-7-24)18-5-15-32-29(37)21-8-10-23(11-9-21)33-25-12-13-26(35-19-17-31-28(25)35)22-14-16-30-27(36)20-22;32-23-14-19(9-11-27-23)22-8-7-21(24-28-12-13-31(22)24)30-20-5-3-18(4-6-20)25(33)29-16-17-2-1-10-26-15-17;1-17(2)29-11-13-30(14-12-29)20-5-3-19(4-6-20)28-21-7-8-22(31-10-9-27-25(21)31)18-15-23(24(26)32)33-16-18;1-27-8-10-28(11-9-27)16-2-3-18(17(22)12-16)26-19-4-5-20(15-13-24-25-14-15)29-7-6-23-21(19)29/h2-4,6-14,16-17,19-20,33H,5,15,18H2,1H3,(H,30,36)(H,32,37);1-15,30H,16H2,(H,27,32)(H,29,33);3-10,15-17,28H,11-14H2,1-2H3,(H2,26,32);2-7,12-14,26H,8-11H2,1H3,(H,24,25).

What are the key properties of N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide?

N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide has a molecular weight of 1781.12 g/mol, XLogP of 16.24, 25 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-[3-(N-methylanilino)propyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159579775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).