bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine

C102H101N19S — CID 157272280

IUPACbis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccsc5)cnc4c3)cc2)CC1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cnccc1-c1cnc2cc(-c3ccc(N4CCN(C)CC4)cc3)ccn12
InChIInChI=1S/2C28H27N5.C24H25N5.C22H22N4S/c2*1-20-17-25(24-5-3-4-6-26(24)30-20)27-19-29-28-18-22(11-12-33(27)28)21-7-9-23(10-8-21)32-15-13-31(2)14-16-32;1-18-16-25-9-7-22(18)23-17-26-24-15-20(8-10-29(23)24)19-3-5-21(6-4-19)28-13-11-27(2)12-14-28;1-24-9-11-25(12-10-24)20-4-2-17(3-5-20)18-6-8-26-21(15-23-22(26)14-18)19-7-13-27-16-19/h2*3-12,17-19H,13-16H2,1-2H3;3-10,15-17H,11-14H2,1-2H3;2-8,13-16H,9-12H2,1H3
InChIKeyAYRHZWDJWFERQP-UHFFFAOYSA-N
MW1625.13 g/mol
LogP19.16
Rot. Bonds12

About bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine

bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine (PubChem CID 157272280) has the molecular formula C102H101N19S and a molecular weight of 1625.13 g/mol. Its IUPAC name is bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Namebis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine
PubChem CID157272280
Molecular FormulaC102H101N19S
Molecular Weight1625.13 g/mol
Exact Mass1623.82
IUPAC Namebis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine
SMILESCN1CCN(c2ccc(-c3ccn4c(-c5ccsc5)cnc4c3)cc2)CC1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cnccc1-c1cnc2cc(-c3ccc(N4CCN(C)CC4)cc3)ccn12
InChIInChI=1S/2C28H27N5.C24H25N5.C22H22N4S/c2*1-20-17-25(24-5-3-4-6-26(24)30-20)27-19-29-28-18-22(11-12-33(27)28)21-7-9-23(10-8-21)32-15-13-31(2)14-16-32;1-18-16-25-9-7-22(18)23-17-26-24-15-20(8-10-29(23)24)19-3-5-21(6-4-19)28-13-11-27(2)12-14-28;1-24-9-11-25(12-10-24)20-4-2-17(3-5-20)18-6-8-26-21(15-23-22(26)14-18)19-7-13-27-16-19/h2*3-12,17-19H,13-16H2,1-2H3;3-10,15-17H,11-14H2,1-2H3;2-8,13-16H,9-12H2,1H3
InChIKeyAYRHZWDJWFERQP-UHFFFAOYSA-N
XLogP19.16
TPSA133.79 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001625.13
LogP ≤ 519.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine with MolForge

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Related Compounds

7-(7-(4-(4-Methylpiperazin-1-yl)phenyl)imidazo[1,2-a]pyridin-3-yl)thieno[3,2-b]pyridine
CID 56973448
6-[(8-Fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
CID 122179433
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
15-Methyl-9-thiophen-2-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 172448005
2,3-Bis[2-fluoro-4-(8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157566
2,3-Bis[4-(7-fluoro-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69157596
2,3-Bis[4-(7-fluoro-8-thiophen-2-ylimidazo[4,5-c]quinolin-1-yl)phenyl]butanedinitrile
CID 69319131
8-Fluoro-4-[(2-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 90884664
6-[1-[5-(1-Benzothiophen-3-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]-7-fluoroquinoline
CID 141370307
4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
5-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-pyrido[4,3-b]indol-5-ylphenyl)propan-2-yl]phenyl]pyrido[4,3-b]indole;5-[4-[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]phenyl]pyrido[3,2-b]indole;9-[4-[(4-pyrido[3,4-b]indol-9-ylphenyl)methyl]phenyl]pyrido[3,4-b]indole;5-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-[4-(4-pyrido[4,3-b]indol-5-ylphenyl)phenyl]pyrido[4,3-b]indole;9-[4-(4-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole;8-[4-[4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157373883

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine?
The IUPAC name of bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine (CID 157272280) is bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine?
The canonical SMILES for bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine is CN1CCN(c2ccc(-c3ccn4c(-c5ccsc5)cnc4c3)cc2)CC1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cnccc1-c1cnc2cc(-c3ccc(N4CCN(C)CC4)cc3)ccn12.
What is the InChIKey of bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine?
The InChIKey is AYRHZWDJWFERQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5.C24H25N5.C22H22N4S/c2*1-20-17-25(24-5-3-4-6-26(24)30-20)27-19-29-28-18-22(11-12-33(27)28)21-7-9-23(10-8-21)32-15-13-31(2)14-16-32;1-18-16-25-9-7-22(18)23-17-26-24-15-20(8-10-29(23)24)19-3-5-21(6-4-19)28-13-11-27(2)12-14-28;1-24-9-11-25(12-10-24)20-4-2-17(3-5-20)18-6-8-26-21(15-23-22(26)14-18)19-7-13-27-16-19/h2*3-12,17-19H,13-16H2,1-2H3;3-10,15-17H,11-14H2,1-2H3;2-8,13-16H,9-12H2,1H3.
What are the key properties of bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine?
bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine has a molecular weight of 1625.13 g/mol, XLogP of 19.16, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);7-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methyl-4-pyridinyl)imidazo[1,2-a]pyridine;7-[4-(4-methylpiperazin-1-yl)phenyl]-3-thiophen-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 157272280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).