4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

C109H103N21O8S — CID 158380247

IUPAC4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4ccc(C(C)=O)cc4)n4ccnc34)cc2)CC1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NC1(c2ccccc2)CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H28N6O2.C28H23N5O2.C28H31N5O.C23H21N5O3S/c37-28-20-24(12-13-31-28)27-11-10-26(29-32-14-15-36(27)29)33-25-8-6-23(7-9-25)30(38)35-18-16-34(17-19-35)21-22-4-2-1-3-5-22;34-25-18-20(12-15-29-25)24-11-10-23(26-30-16-17-33(24)26)31-22-8-6-19(7-9-22)27(35)32-28(13-14-28)21-4-2-1-3-5-21;1-3-15-31-17-19-32(20-18-31)25-10-8-24(9-11-25)30-26-12-13-27(33-16-14-29-28(26)33)23-6-4-22(5-7-23)21(2)34;1-27(2)32(30,31)18-6-4-17(5-7-18)26-20-9-10-21(28-12-11-24-22(20)28)15-3-8-19-16(13-15)14-25-23(19)29/h1-15,20,33H,16-19,21H2,(H,31,37);1-12,15-18,31H,13-14H2,(H,29,34)(H,32,35);4-14,16,30H,3,15,17-20H2,1-2H3;3-13,26H,14H2,1-2H3,(H,25,29)
InChIKeyGVRVVFJBFUOJFN-UHFFFAOYSA-N
MW1867.23 g/mol
LogP17.96
Rot. Bonds24

About 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (PubChem CID 158380247) has the molecular formula C109H103N21O8S and a molecular weight of 1867.23 g/mol. Its IUPAC name is 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
PubChem CID158380247
Molecular FormulaC109H103N21O8S
Molecular Weight1867.23 g/mol
Exact Mass1865.80
IUPAC Name4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
SMILESCCCN1CCN(c2ccc(Nc3ccc(-c4ccc(C(C)=O)cc4)n4ccnc34)cc2)CC1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NC1(c2ccccc2)CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C30H28N6O2.C28H23N5O2.C28H31N5O.C23H21N5O3S/c37-28-20-24(12-13-31-28)27-11-10-26(29-32-14-15-36(27)29)33-25-8-6-23(7-9-25)30(38)35-18-16-34(17-19-35)21-22-4-2-1-3-5-22;34-25-18-20(12-15-29-25)24-11-10-23(26-30-16-17-33(24)26)31-22-8-6-19(7-9-22)27(35)32-28(13-14-28)21-4-2-1-3-5-21;1-3-15-31-17-19-32(20-18-31)25-10-8-24(9-11-25)30-26-12-13-27(33-16-14-29-28(26)33)23-6-4-22(5-7-23)21(2)34;1-27(2)32(30,31)18-6-4-17(5-7-18)26-20-9-10-21(28-12-11-24-22(20)28)15-3-8-19-16(13-15)14-25-23(19)29/h1-15,20,33H,16-19,21H2,(H,31,37);1-12,15-18,31H,13-14H2,(H,29,34)(H,32,35);4-14,16,30H,3,15,17-20H2,1-2H3;3-13,26H,14H2,1-2H3,(H,25,29)
InChIKeyGVRVVFJBFUOJFN-UHFFFAOYSA-N
XLogP17.96
TPSA325.72 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms139
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.23
LogP ≤ 517.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The IUPAC name of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (CID 158380247) is 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.
What is the SMILES notation for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The canonical SMILES for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is CCCN1CCN(c2ccc(Nc3ccc(-c4ccc(C(C)=O)cc4)n4ccnc34)cc2)CC1.CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.O=C(NC1(c2ccccc2)CC1)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The InChIKey is GVRVVFJBFUOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2.C28H23N5O2.C28H31N5O.C23H21N5O3S/c37-28-20-24(12-13-31-28)27-11-10-26(29-32-14-15-36(27)29)33-25-8-6-23(7-9-25)30(38)35-18-16-34(17-19-35)21-22-4-2-1-3-5-22;34-25-18-20(12-15-29-25)24-11-10-23(26-30-16-17-33(24)26)31-22-8-6-19(7-9-22)27(35)32-28(13-14-28)21-4-2-1-3-5-21;1-3-15-31-17-19-32(20-18-31)25-10-8-24(9-11-25)30-26-12-13-27(33-16-14-29-28(26)33)23-6-4-22(5-7-23)21(2)34;1-27(2)32(30,31)18-6-4-17(5-7-18)26-20-9-10-21(28-12-11-24-22(20)28)15-3-8-19-16(13-15)14-25-23(19)29/h1-15,20,33H,16-19,21H2,(H,31,37);1-12,15-18,31H,13-14H2,(H,29,34)(H,32,35);4-14,16,30H,3,15,17-20H2,1-2H3;3-13,26H,14H2,1-2H3,(H,25,29).
What are the key properties of 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone has a molecular weight of 1867.23 g/mol, XLogP of 17.96, 24 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-benzylpiperazine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzenesulfonamide;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(1-phenylcyclopropyl)benzamide;1-[4-[8-[4-(4-propylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 158380247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).