N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C79H82N16O5 — CID 158164147

IUPACN-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1C.O=c1cc(-c2ccc(Nc3ccc(C4CCNCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C30H34N6O2.C26H25N5O2.C23H23N5O/c1-5-34(4)15-16-35(6-2)30(38)24-10-8-23(17-20(24)3)33-26-11-12-27(36-14-13-31-28(26)36)21-7-9-25-22(18-21)19-32-29(25)37;1-2-3-12-28-25(32)17-4-7-20(8-5-17)30-22-10-11-23(31-14-13-27-24(22)31)18-6-9-21-19(15-18)16-29-26(21)33;29-22-15-18(9-12-25-22)21-6-5-20(23-26-13-14-28(21)23)27-19-3-1-16(2-4-19)17-7-10-24-11-8-17/h7-14,17-18,33H,5-6,15-16,19H2,1-4H3,(H,32,37);4-11,13-15,30H,2-3,12,16H2,1H3,(H,28,32)(H,29,33);1-6,9,12-15,17,24,27H,7-8,10-11H2,(H,25,29)
InChIKeyFWQFPXNJDXEMCJ-UHFFFAOYSA-N
MW1335.63 g/mol
LogP13.13
Rot. Bonds20

About N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 158164147) has the molecular formula C79H82N16O5 and a molecular weight of 1335.63 g/mol. Its IUPAC name is N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound NameN-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID158164147
Molecular FormulaC79H82N16O5
Molecular Weight1335.63 g/mol
Exact Mass1334.67
IUPAC NameN-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCCCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1C.O=c1cc(-c2ccc(Nc3ccc(C4CCNCC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C30H34N6O2.C26H25N5O2.C23H23N5O/c1-5-34(4)15-16-35(6-2)30(38)24-10-8-23(17-20(24)3)33-26-11-12-27(36-14-13-31-28(26)36)21-7-9-25-22(18-21)19-32-29(25)37;1-2-3-12-28-25(32)17-4-7-20(8-5-17)30-22-10-11-23(31-14-13-27-24(22)31)18-6-9-21-19(15-18)16-29-26(21)33;29-22-15-18(9-12-25-22)21-6-5-20(23-26-13-14-28(21)23)27-19-3-1-16(2-4-19)17-7-10-24-11-8-17/h7-14,17-18,33H,5-6,15-16,19H2,1-4H3,(H,32,37);4-11,13-15,30H,2-3,12,16H2,1H3,(H,28,32)(H,29,33);1-6,9,12-15,17,24,27H,7-8,10-11H2,(H,25,29)
InChIKeyFWQFPXNJDXEMCJ-UHFFFAOYSA-N
XLogP13.13
TPSA243.73 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001335.63
LogP ≤ 513.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 158164147) is N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CCCCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1C.O=c1cc(-c2ccc(Nc3ccc(C4CCNCC4)cc3)c3nccn23)cc[nH]1.
What is the InChIKey of N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is FWQFPXNJDXEMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2.C26H25N5O2.C23H23N5O/c1-5-34(4)15-16-35(6-2)30(38)24-10-8-23(17-20(24)3)33-26-11-12-27(36-14-13-31-28(26)36)21-7-9-25-22(18-21)19-32-29(25)37;1-2-3-12-28-25(32)17-4-7-20(8-5-17)30-22-10-11-23(31-14-13-27-24(22)31)18-6-9-21-19(15-18)16-29-26(21)33;29-22-15-18(9-12-25-22)21-6-5-20(23-26-13-14-28(21)23)27-19-3-1-16(2-4-19)17-7-10-24-11-8-17/h7-14,17-18,33H,5-6,15-16,19H2,1-4H3,(H,32,37);4-11,13-15,30H,2-3,12,16H2,1H3,(H,28,32)(H,29,33);1-6,9,12-15,17,24,27H,7-8,10-11H2,(H,25,29).
What are the key properties of N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1335.63 g/mol, XLogP of 13.13, 20 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-2-methyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-(4-piperidin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158164147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).