methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol

C108H115N33O9S3 — CID 158159786

IUPACmethane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol
SMILESC.CC1=C(c2ccc3nc(Nc4cc(N5CCN(S(C)(=O)=O)CC5)ccn4)cn3c2)C=NC1.COCC(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccccc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccncc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5cn[nH]c5)ccc4n3)c2)CC1.OCc1ccnc(Nc2cn3cc(-c4cccnc4)ccc3n2)c1
InChIInChI=1S/C25H26N6O2.C22H25N7O2S.C22H23N7O2S.C20H22N8O2S.C18H15N5O.CH4/c1-33-18-25(32)30-13-11-29(12-14-30)21-9-10-26-22(15-21)27-23-17-31-16-20(7-8-24(31)28-23)19-5-3-2-4-6-19;1-16-12-23-13-19(16)17-3-4-22-26-21(15-28(22)14-17)25-20-11-18(5-6-24-20)27-7-9-29(10-8-27)32(2,30)31;1-32(30,31)29-12-10-27(11-13-29)19-6-9-24-20(14-19)25-21-16-28-15-18(2-3-22(28)26-21)17-4-7-23-8-5-17;1-31(29,30)28-8-6-26(7-9-28)17-4-5-21-18(10-17)24-19-14-27-13-15(2-3-20(27)25-19)16-11-22-23-12-16;24-12-13-5-7-20-16(8-13)21-17-11-23-10-15(3-4-18(23)22-17)14-2-1-6-19-9-14;/h2-10,15-17H,11-14,18H2,1H3,(H,26,27);3-6,11,13-15H,7-10,12H2,1-2H3,(H,24,25);2-9,14-16H,10-13H2,1H3,(H,24,25);2-5,10-14H,6-9H2,1H3,(H,21,24)(H,22,23);1-11,24H,12H2,(H,20,21);1H4
InChIKeyFWCZATNSLXYYFF-UHFFFAOYSA-N
MW2115.53 g/mol
LogP14.07
Rot. Bonds25

About methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol

methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol (PubChem CID 158159786) has the molecular formula C108H115N33O9S3 and a molecular weight of 2115.53 g/mol. Its IUPAC name is methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Namemethane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol
PubChem CID158159786
Molecular FormulaC108H115N33O9S3
Molecular Weight2115.53 g/mol
Exact Mass2113.87
IUPAC Namemethane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol
SMILESC.CC1=C(c2ccc3nc(Nc4cc(N5CCN(S(C)(=O)=O)CC5)ccn4)cn3c2)C=NC1.COCC(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccccc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccncc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5cn[nH]c5)ccc4n3)c2)CC1.OCc1ccnc(Nc2cn3cc(-c4cccnc4)ccc3n2)c1
InChIInChI=1S/C25H26N6O2.C22H25N7O2S.C22H23N7O2S.C20H22N8O2S.C18H15N5O.CH4/c1-33-18-25(32)30-13-11-29(12-14-30)21-9-10-26-22(15-21)27-23-17-31-16-20(7-8-24(31)28-23)19-5-3-2-4-6-19;1-16-12-23-13-19(16)17-3-4-22-26-21(15-28(22)14-17)25-20-11-18(5-6-24-20)27-7-9-29(10-8-27)32(2,30)31;1-32(30,31)29-12-10-27(11-13-29)19-6-9-24-20(14-19)25-21-16-28-15-18(2-3-22(28)26-21)17-4-7-23-8-5-17;1-31(29,30)28-8-6-26(7-9-28)17-4-5-21-18(10-17)24-19-14-27-13-15(2-3-20(27)25-19)16-11-22-23-12-16;24-12-13-5-7-20-16(8-13)21-17-11-23-10-15(3-4-18(23)22-17)14-2-1-6-19-9-14;/h2-10,15-17H,11-14,18H2,1H3,(H,26,27);3-6,11,13-15H,7-10,12H2,1-2H3,(H,24,25);2-9,14-16H,10-13H2,1H3,(H,24,25);2-5,10-14H,6-9H2,1H3,(H,21,24)(H,22,23);1-11,24H,12H2,(H,20,21);1H4
InChIKeyFWCZATNSLXYYFF-UHFFFAOYSA-N
XLogP14.07
TPSA452.79 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002115.53
LogP ≤ 514.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol?
The IUPAC name of methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol (CID 158159786) is methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol?
The canonical SMILES for methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol is C.CC1=C(c2ccc3nc(Nc4cc(N5CCN(S(C)(=O)=O)CC5)ccn4)cn3c2)C=NC1.COCC(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccccc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5ccncc5)ccc4n3)c2)CC1.CS(=O)(=O)N1CCN(c2ccnc(Nc3cn4cc(-c5cn[nH]c5)ccc4n3)c2)CC1.OCc1ccnc(Nc2cn3cc(-c4cccnc4)ccc3n2)c1.
What is the InChIKey of methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol?
The InChIKey is FWCZATNSLXYYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C22H25N7O2S.C22H23N7O2S.C20H22N8O2S.C18H15N5O.CH4/c1-33-18-25(32)30-13-11-29(12-14-30)21-9-10-26-22(15-21)27-23-17-31-16-20(7-8-24(31)28-23)19-5-3-2-4-6-19;1-16-12-23-13-19(16)17-3-4-22-26-21(15-28(22)14-17)25-20-11-18(5-6-24-20)27-7-9-29(10-8-27)32(2,30)31;1-32(30,31)29-12-10-27(11-13-29)19-6-9-24-20(14-19)25-21-16-28-15-18(2-3-22(28)26-21)17-4-7-23-8-5-17;1-31(29,30)28-8-6-26(7-9-28)17-4-5-21-18(10-17)24-19-14-27-13-15(2-3-20(27)25-19)16-11-22-23-12-16;24-12-13-5-7-20-16(8-13)21-17-11-23-10-15(3-4-18(23)22-17)14-2-1-6-19-9-14;/h2-10,15-17H,11-14,18H2,1H3,(H,26,27);3-6,11,13-15H,7-10,12H2,1-2H3,(H,24,25);2-9,14-16H,10-13H2,1H3,(H,24,25);2-5,10-14H,6-9H2,1H3,(H,21,24)(H,22,23);1-11,24H,12H2,(H,20,21);1H4.
What are the key properties of methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol?
methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol has a molecular weight of 2115.53 g/mol, XLogP of 14.07, 25 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-1-[4-[2-[(6-phenylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone;6-(3-methyl-2H-pyrrol-4-yl)-N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine;N-[4-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine;[2-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 158159786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).