bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine

C97H118N28S — CID 157446451

IUPACbis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6sccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/2C26H31N7.C23H27N7S.C22H29N7/c2*1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-22-21(15-26-30(22)16-18)19-2-6-24-23-20(19)5-13-31-23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5-6,13-17H,3-4,7-12H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3
InChIKeyBSGYIUGZUBZALS-UHFFFAOYSA-N
MW1708.27 g/mol
LogP12.48
Rot. Bonds12

About bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine

bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine (PubChem CID 157446451) has the molecular formula C97H118N28S and a molecular weight of 1708.27 g/mol. Its IUPAC name is bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Namebis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine
PubChem CID157446451
Molecular FormulaC97H118N28S
Molecular Weight1708.27 g/mol
Exact Mass1706.98
IUPAC Namebis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6sccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/2C26H31N7.C23H27N7S.C22H29N7/c2*1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-22-21(15-26-30(22)16-18)19-2-6-24-23-20(19)5-13-31-23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5-6,13-17H,3-4,7-12H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3
InChIKeyBSGYIUGZUBZALS-UHFFFAOYSA-N
XLogP12.48
TPSA211.20 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.27
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine with MolForge

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Related Compounds

3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
6-[[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-piperidin-1-ylpiperidin-1-yl)quinoline
CID 71534975
3-(4-Cyclohexylpiperazin-1-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinoline
CID 71535263
6-[[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
CID 71535264
6-[4-Amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515028
6-[4-Amino-1-[[2-(4-propan-2-ylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine
CID 58515126
4-[6-[5-(1-Piperazinyl)-2-thiazolyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 86275248
4-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine
CID 142464370
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634610
1-(1-(6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl)ethyl)-3-(thiazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 59634682
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
6-[1-[6-(1-benzothiophen-3-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
CID 141456398

Frequently Asked Questions

What is the IUPAC name of bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine?
The IUPAC name of bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine (CID 157446451) is bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine?
The canonical SMILES for bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6sccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.
What is the InChIKey of bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine?
The InChIKey is BSGYIUGZUBZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N7.C23H27N7S.C22H29N7/c2*1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-27-9-11-29(12-10-27)17-3-7-28(8-4-17)18-14-25-22-21(15-26-30(22)16-18)19-2-6-24-23-20(19)5-13-31-23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2,5-6,13-17H,3-4,7-12H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3.
What are the key properties of bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine?
bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine has a molecular weight of 1708.27 g/mol, XLogP of 12.48, 12 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline);6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 157446451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).