6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone

C100H117N29O2 — CID 157405379

IUPAC6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3cnc4c(-c5cc(C)nc6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5c[nH]c(=O)c6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C27H31N7O.C25H29N7O.C25H29N7.C23H28N8/c1-19-15-24(23-5-3-4-6-26(23)30-19)25-17-29-34-18-22(16-28-27(25)34)33-13-11-32(12-14-33)21-7-9-31(10-8-21)20(2)35;1-29-10-12-31(13-11-29)18-6-8-30(9-7-18)19-14-26-24-23(16-28-32(24)17-19)22-15-27-25(33)21-5-3-2-4-20(21)22;1-18-14-22(21-4-2-3-5-24(21)29-18)23-16-28-32-17-20(15-27-25(23)32)31-12-10-30(11-13-31)19-6-8-26-9-7-19;1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h3-6,15-18,21H,7-14H2,1-2H3;2-5,14-18H,6-13H2,1H3,(H,27,33);2-5,14-17,19,26H,6-13H2,1H3;2-4,7,14-18H,5-6,8-13H2,1H3
InChIKeyBNQRVISXVHVVGP-UHFFFAOYSA-N
MW1757.24 g/mol
LogP11.23
Rot. Bonds12

About 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone

6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 157405379) has the molecular formula C100H117N29O2 and a molecular weight of 1757.24 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID157405379
Molecular FormulaC100H117N29O2
Molecular Weight1757.24 g/mol
Exact Mass1755.99
IUPAC Name6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3cnc4c(-c5cc(C)nc6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5c[nH]c(=O)c6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c2ccccc2n1
InChIInChI=1S/C27H31N7O.C25H29N7O.C25H29N7.C23H28N8/c1-19-15-24(23-5-3-4-6-26(23)30-19)25-17-29-34-18-22(16-28-27(25)34)33-13-11-32(12-14-33)21-7-9-31(10-8-21)20(2)35;1-29-10-12-31(13-11-29)18-6-8-30(9-7-18)19-14-26-24-23(16-28-32(24)17-19)22-15-27-25(33)21-5-3-2-4-20(21)22;1-18-14-22(21-4-2-3-5-24(21)29-18)23-16-28-32-17-20(15-27-25(23)32)31-12-10-30(11-13-31)19-6-8-26-9-7-19;1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h3-6,15-18,21H,7-14H2,1-2H3;2-5,14-18H,6-13H2,1H3,(H,27,33);2-5,14-17,19,26H,6-13H2,1H3;2-4,7,14-18H,5-6,8-13H2,1H3
InChIKeyBNQRVISXVHVVGP-UHFFFAOYSA-N
XLogP11.23
TPSA261.44 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.24
LogP ≤ 511.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

Jqez5
CID 121322599
2-fluoro-N-methyl-4-[3-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]benzamide
CID 137644947
4-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-2-fluoro-N-methylbenzamide
CID 137650862
2-fluoro-4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
CID 137652748
TRK degrader CG416
CID 146410659
1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
CID 138320049
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-[5-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]triazol-4-yl]-2-pyridinyl]urea
CID 155562003
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 68295073
N-isoquinolin-1-yl-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
CID 138544609
N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)quinoline-4-carboxamide
CID 76282804
N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)quinoline-4-carboxamide
CID 90246021
N-(6-(1-(1-(2-amino-2-oxoethyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)quinoline-4-carboxamide
CID 118538812

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone (CID 157405379) is 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCN(c3cnc4c(-c5cc(C)nc6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5c[nH]c(=O)c6ccccc56)cnn4c3)CC2)CC1.CN1CCN(C2CCN(c3cnc4c(-c5cnn6ccccc56)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c2ccccc2n1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BNQRVISXVHVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O.C25H29N7O.C25H29N7.C23H28N8/c1-19-15-24(23-5-3-4-6-26(23)30-19)25-17-29-34-18-22(16-28-27(25)34)33-13-11-32(12-14-33)21-7-9-31(10-8-21)20(2)35;1-29-10-12-31(13-11-29)18-6-8-30(9-7-18)19-14-26-24-23(16-28-32(24)17-19)22-15-27-25(33)21-5-3-2-4-20(21)22;1-18-14-22(21-4-2-3-5-24(21)29-18)23-16-28-32-17-20(15-27-25(23)32)31-12-10-30(11-13-31)19-6-8-26-9-7-19;1-27-10-12-29(13-11-27)18-5-8-28(9-6-18)19-14-24-23-21(16-26-31(23)17-19)20-15-25-30-7-3-2-4-22(20)30/h3-6,15-18,21H,7-14H2,1-2H3;2-5,14-18H,6-13H2,1H3,(H,27,33);2-5,14-17,19,26H,6-13H2,1H3;2-4,7,14-18H,5-6,8-13H2,1H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone?
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 1757.24 g/mol, XLogP of 11.23, 12 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[1,5-a]pyrimidine;4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2H-isoquinolin-1-one;2-methyl-4-[6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[4-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157405379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).