7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine

C89H114FN19O6 — CID 158106280

IUPAC7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F
InChIInChI=1S/C32H39FN6O2.C32H40N6O2.C25H35N7O2/c1-22-17-27-26(3-8-34-30(27)19-29(22)33)28-20-35-39-21-24(18-31(32(28)39)41-25-6-15-40-16-7-25)37-9-4-23(5-10-37)38-13-11-36(2)12-14-38;1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37;1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h3,8,17-21,23,25H,4-7,9-16H2,1-2H3;3-6,19-22,24,26H,7-18H2,1-2H3;14-18,20,22H,2-13H2,1H3,(H,26,27)
InChIKeyFPWINCPUBADQAI-UHFFFAOYSA-N
MW1565.02 g/mol
LogP11.90
Rot. Bonds15

About 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine

7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 158106280) has the molecular formula C89H114FN19O6 and a molecular weight of 1565.02 g/mol. Its IUPAC name is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID158106280
Molecular FormulaC89H114FN19O6
Molecular Weight1565.02 g/mol
Exact Mass1563.92
IUPAC Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine
SMILESCN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F
InChIInChI=1S/C32H39FN6O2.C32H40N6O2.C25H35N7O2/c1-22-17-27-26(3-8-34-30(27)19-29(22)33)28-20-35-39-21-24(18-31(32(28)39)41-25-6-15-40-16-7-25)37-9-4-23(5-10-37)38-13-11-36(2)12-14-38;1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37;1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h3,8,17-21,23,25H,4-7,9-16H2,1-2H3;3-6,19-22,24,26H,7-18H2,1-2H3;14-18,20,22H,2-13H2,1H3,(H,26,27)
InChIKeyFPWINCPUBADQAI-UHFFFAOYSA-N
XLogP11.90
TPSA190.90 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms115
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.02
LogP ≤ 511.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine (CID 158106280) is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine is CN1CCN(C2CCN(c3cc(OC4CCOCC4)c4c(-c5cn[nH]c5)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cc(OC4CCOCC4)c23)c2ccccc2n1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is FPWINCPUBADQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O2.C32H40N6O2.C25H35N7O2/c1-22-17-27-26(3-8-34-30(27)19-29(22)33)28-20-35-39-21-24(18-31(32(28)39)41-25-6-15-40-16-7-25)37-9-4-23(5-10-37)38-13-11-36(2)12-14-38;1-23-19-28(27-5-3-4-6-30(27)34-23)29-21-33-38-22-25(20-31(32(29)38)40-26-9-17-39-18-10-26)36-11-7-24(8-12-36)37-15-13-35(2)14-16-37;1-29-8-10-31(11-9-29)20-2-6-30(7-3-20)21-14-24(34-22-4-12-33-13-5-22)25-23(17-28-32(25)18-21)19-15-26-27-16-19/h3,8,17-21,23,25H,4-7,9-16H2,1-2H3;3-6,19-22,24,26H,7-18H2,1-2H3;14-18,20,22H,2-13H2,1H3,(H,26,27).
What are the key properties of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine?
7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 1565.02 g/mol, XLogP of 11.90, 15 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158106280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).