4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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

C111H110N22O9 — CID 158770705

IUPAC4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C31H29N5O3.C30H27N5O2.C27H31N7O2.C23H23N5O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(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;1-31(2)13-14-32-15-17-33(18-16-32)27(36)20-3-5-22(6-4-20)30-23-7-8-24(34-12-11-29-26(23)34)21-9-10-28-25(35)19-21;1-15(2)14-26-23(30)16-3-5-18(6-4-16)27-19-7-8-20(28-12-11-25-22(19)28)17-9-10-24-21(29)13-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);3-12,19,30H,13-18H2,1-2H3,(H,28,35);3-13,15,27H,14H2,1-2H3,(H,24,29)(H,26,30)
InChIKeyIPVCFFATSZQTCY-UHFFFAOYSA-N
MW1896.25 g/mol
LogP17.49
Rot. Bonds24

About 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 (PubChem CID 158770705) has the molecular formula C111H110N22O9 and a molecular weight of 1896.25 g/mol. Its IUPAC name is 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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.

Molecular Properties

Compound Name4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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
PubChem CID158770705
Molecular FormulaC111H110N22O9
Molecular Weight1896.25 g/mol
Exact Mass1894.88
IUPAC Name4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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
SMILESCC(C)CNC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C31H29N5O3.C30H27N5O2.C27H31N7O2.C23H23N5O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(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;1-31(2)13-14-32-15-17-33(18-16-32)27(36)20-3-5-22(6-4-20)30-23-7-8-24(34-12-11-29-26(23)34)21-9-10-28-25(35)19-21;1-15(2)14-26-23(30)16-3-5-18(6-4-16)27-19-7-8-20(28-12-11-25-22(19)28)17-9-10-24-21(29)13-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);3-12,19,30H,13-18H2,1-2H3,(H,28,35);3-13,15,27H,14H2,1-2H3,(H,24,29)(H,26,30)
InChIKeyIPVCFFATSZQTCY-UHFFFAOYSA-N
XLogP17.49
TPSA354.50 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001896.25
LogP ≤ 517.49
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Analyze 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 with MolForge

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Related Compounds

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N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-piperidin-4-ylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452640
4-[1-[7-[4-(aminomethyl)-3-fluorophenyl]-2-phenylimidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-yl]-N-[[2-fluoro-4-[2-(2-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]benzamide
CID 139356610
4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;4-[8-amino-3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;1,2-dimethylcyclobutane
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CID 150211050

Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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?
The IUPAC name of 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 (CID 158770705) is 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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.
What is the SMILES notation for 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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?
The canonical SMILES for 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 is CC(C)CNC(=O)c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1.CN(C)CCN1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.COc1ccccc1C1CCN(C(=O)c2ccc(Nc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2)CC1.O=C(c1ccc(Nc2ccc(-c3cc[nH]c(=O)c3)n3ccnc23)cc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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?
The InChIKey is IPVCFFATSZQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3.C30H27N5O2.C27H31N7O2.C23H23N5O2/c1-39-28-5-3-2-4-25(28)21-13-17-35(18-14-21)31(38)22-6-8-24(9-7-22)34-26-10-11-27(36-19-16-33-30(26)36)23-12-15-32-29(37)20-23;36-28-20-24(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;1-31(2)13-14-32-15-17-33(18-16-32)27(36)20-3-5-22(6-4-20)30-23-7-8-24(34-12-11-29-26(23)34)21-9-10-28-25(35)19-21;1-15(2)14-26-23(30)16-3-5-18(6-4-16)27-19-7-8-20(28-12-11-25-22(19)28)17-9-10-24-21(29)13-17/h2-12,15-16,19-21,34H,13-14,17-18H2,1H3,(H,32,37);1-12,15-16,19-20,22,33H,13-14,17-18H2,(H,31,36);3-12,19,30H,13-18H2,1-2H3,(H,28,35);3-13,15,27H,14H2,1-2H3,(H,24,29)(H,26,30).
What are the key properties of 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 has a molecular weight of 1896.25 g/mol, XLogP of 17.49, 24 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-(2-methylpropyl)-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 is sourced from PubChem (CID 158770705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).