4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C105H108N22O7 — CID 158798926

IUPAC4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CCN(CCOC)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C30H27N5O2.C26H28N6O.C25H28N6O.C24H25N5O3/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;33-25-18-19(10-11-27-25)24-9-8-23(26-28-12-13-32(24)26)29-20-4-6-22(7-5-20)31-16-14-30(15-17-31)21-2-1-3-21;1-18(2)29-13-15-30(16-14-29)21-5-3-20(4-6-21)28-22-7-8-23(31-12-11-27-25(22)31)19-9-10-26-24(32)17-19;1-3-28(14-15-32-2)24(31)17-4-6-19(7-5-17)27-20-8-9-21(29-13-12-26-23(20)29)18-10-11-25-22(30)16-18/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);4-13,18,21,29H,1-3,14-17H2,(H,27,33);3-12,17-18,28H,13-16H2,1-2H3,(H,26,32);4-13,16,27H,3,14-15H2,1-2H3,(H,25,30)
InChIKeyITFNUQVAVCMQDO-UHFFFAOYSA-N
MW1790.17 g/mol
LogP17.07
Rot. Bonds23

About 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 158798926) has the molecular formula C105H108N22O7 and a molecular weight of 1790.17 g/mol. Its IUPAC name is 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID158798926
Molecular FormulaC105H108N22O7
Molecular Weight1790.17 g/mol
Exact Mass1788.88
IUPAC Name4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESCC(C)N1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CCN(CCOC)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3nccn23)cc[nH]1
InChIInChI=1S/C30H27N5O2.C26H28N6O.C25H28N6O.C24H25N5O3/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;33-25-18-19(10-11-27-25)24-9-8-23(26-28-12-13-32(24)26)29-20-4-6-22(7-5-20)31-16-14-30(15-17-31)21-2-1-3-21;1-18(2)29-13-15-30(16-14-29)21-5-3-20(4-6-21)28-22-7-8-23(31-12-11-27-25(22)31)19-9-10-26-24(32)17-19;1-3-28(14-15-32-2)24(31)17-4-6-19(7-5-17)27-20-8-9-21(29-13-12-26-23(20)29)18-10-11-25-22(30)16-18/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);4-13,18,21,29H,1-3,14-17H2,(H,27,33);3-12,17-18,28H,13-16H2,1-2H3,(H,26,32);4-13,16,27H,3,14-15H2,1-2H3,(H,25,30)
InChIKeyITFNUQVAVCMQDO-UHFFFAOYSA-N
XLogP17.07
TPSA311.57 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.17
LogP ≤ 517.07
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-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 158798926) is 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is CC(C)N1CCN(c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.CCN(CCOC)C(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.O=c1cc(-c2ccc(Nc3ccc(N4CCN(C5CCC5)CC4)cc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is ITFNUQVAVCMQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2.C26H28N6O.C25H28N6O.C24H25N5O3/c36-28-20-24(12-15-31-28)27-11-10-26(29-32-16-19-35(27)29)33-25-8-6-23(7-9-25)30(37)34-17-13-22(14-18-34)21-4-2-1-3-5-21;33-25-18-19(10-11-27-25)24-9-8-23(26-28-12-13-32(24)26)29-20-4-6-22(7-5-20)31-16-14-30(15-17-31)21-2-1-3-21;1-18(2)29-13-15-30(16-14-29)21-5-3-20(4-6-21)28-22-7-8-23(31-12-11-27-25(22)31)19-9-10-26-24(32)17-19;1-3-28(14-15-32-2)24(31)17-4-6-19(7-5-17)27-20-8-9-21(29-13-12-26-23(20)29)18-10-11-25-22(30)16-18/h1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);4-13,18,21,29H,1-3,14-17H2,(H,27,33);3-12,17-18,28H,13-16H2,1-2H3,(H,26,32);4-13,16,27H,3,14-15H2,1-2H3,(H,25,30).
What are the key properties of 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 1790.17 g/mol, XLogP of 17.07, 23 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(4-cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-(2-methoxyethyl)-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 158798926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).