N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C98H92F4N22O7 — CID 159518507

About N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide

N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 159518507) has the molecular formula C98H92F4N22O7 and a molecular weight of 1765.95 g/mol. Its IUPAC name is N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide
• PubChem CID: 159518507
• Molecular Formula: C98H92F4N22O7
• Molecular Weight: 1765.95 g/mol
• Exact Mass: 1764.75
• IUPAC Name: N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide
• SMILES: CCC(COC)NC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)c(F)c2)CC1.O=C(NC1C[C@H]2CC[C@@H]1C2)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1
• InChI: InChI=1S/C27H20F3N5O2.C26H25N5O2.C24H25N5O3.C21H22FN7/c28-27(29,30)20-5-1-17(2-6-20)16-33-26(37)18-3-7-21(8-4-18)34-22-9-10-23(35-14-13-32-25(22)35)19-11-12-31-24(36)15-19;32-24-15-19(9-10-27-24)23-8-7-21(25-28-11-12-31(23)25)29-20-5-3-17(4-6-20)26(33)30-22-14-16-1-2-18(22)13-16;1-3-18(15-32-2)28-24(31)16-4-6-19(7-5-16)27-20-8-9-21(29-13-12-26-23(20)29)17-10-11-25-22(30)14-17;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/h1-15,34H,16H2,(H,31,36)(H,33,37);3-12,15-16,18,22,29H,1-2,13-14H2,(H,27,32)(H,30,33);4-14,18,27H,3,15H2,1-2H3,(H,25,30)(H,28,31);2-7,12-14,26H,8-11H2,1H3,(H,24,25)/t;16-,18+,22?;;/m.0../s1
• InChIKey: MBMVWBMLZPUZMK-KDPHOZCXSA-N
• XLogP: 16.68
• TPSA: 347.59 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1765.95
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?

The IUPAC name of N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 159518507) is N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

What is the SMILES notation for N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?

The canonical SMILES for N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide is CCC(COC)NC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN1CCN(c2ccc(Nc3ccc(-c4cn[nH]c4)n4ccnc34)c(F)c2)CC1.O=C(NC1C[C@H]2CC[C@@H]1C2)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.

What is the InChIKey of N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?

The InChIKey is MBMVWBMLZPUZMK-KDPHOZCXSA-N. The full InChI is InChI=1S/C27H20F3N5O2.C26H25N5O2.C24H25N5O3.C21H22FN7/c28-27(29,30)20-5-1-17(2-6-20)16-33-26(37)18-3-7-21(8-4-18)34-22-9-10-23(35-14-13-32-25(22)35)19-11-12-31-24(36)15-19;32-24-15-19(9-10-27-24)23-8-7-21(25-28-11-12-31(23)25)29-20-5-3-17(4-6-20)26(33)30-22-14-16-1-2-18(22)13-16;1-3-18(15-32-2)28-24(31)16-4-6-19(7-5-16)27-20-8-9-21(29-13-12-26-23(20)29)17-10-11-25-22(30)14-17;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/h1-15,34H,16H2,(H,31,36)(H,33,37);3-12,15-16,18,22,29H,1-2,13-14H2,(H,27,32)(H,30,33);4-14,18,27H,3,15H2,1-2H3,(H,25,30)(H,28,31);2-7,12-14,26H,8-11H2,1H3,(H,24,25)/t;16-,18+,22?;;/m.0../s1.

What are the key properties of N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide?

N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 1765.95 g/mol, XLogP of 16.68, 23 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-[2-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-8-amine;N-(1-methoxybutan-2-yl)-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-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 159518507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).