4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol

C124H135N25O13S — CID 163594460

IUPAC4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.CCn1cc2c(n1)CN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.CS(=O)(=O)n1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.Cn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C27H30N6O2.C26H32N4O3.C24H25N5O4S.C24H25N5O2.C23H23N5O2/c1-2-32-15-19-14-31(16-24(19)29-32)21-5-6-22-23(13-21)28-10-7-25(22)35-26-17-33(20-3-4-20)30-27(26)18-8-11-34-12-9-18;1-26(31)9-12-29(13-10-26)20-4-5-21-22(16-20)27-11-6-23(21)33-24-17-30(19-2-3-19)28-25(24)18-7-14-32-15-8-18;1-34(30,31)29-14-18(13-26-29)17-2-5-20-21(12-17)25-9-6-22(20)33-23-15-28(19-3-4-19)27-24(23)16-7-10-32-11-8-16;1-28-14-18(13-26-28)17-2-5-20-21(12-17)25-9-6-22(20)31-23-15-29(19-3-4-19)27-24(23)16-7-10-30-11-8-16;1-4-19-20(11-16(1)17-12-25-26-13-17)24-8-5-21(19)30-22-14-28(18-2-3-18)27-23(22)15-6-9-29-10-7-15/h5-7,10,13,15,17-18,20H,2-4,8-9,11-12,14,16H2,1H3;4-6,11,16-19,31H,2-3,7-10,12-15H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;1,4-5,8,11-15,18H,2-3,6-7,9-10H2,(H,25,26)
InChIKeyGSFJOOBUFGMQNN-UHFFFAOYSA-N
MW2215.67 g/mol
LogP23.81
Rot. Bonds27

About 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol

4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol (PubChem CID 163594460) has the molecular formula C124H135N25O13S and a molecular weight of 2215.67 g/mol. Its IUPAC name is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
PubChem CID163594460
Molecular FormulaC124H135N25O13S
Molecular Weight2215.67 g/mol
Exact Mass2214.04
IUPAC Name4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.CCn1cc2c(n1)CN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.CS(=O)(=O)n1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.Cn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(-c3cn[nH]c3)cc2n1
InChIInChI=1S/C27H30N6O2.C26H32N4O3.C24H25N5O4S.C24H25N5O2.C23H23N5O2/c1-2-32-15-19-14-31(16-24(19)29-32)21-5-6-22-23(13-21)28-10-7-25(22)35-26-17-33(20-3-4-20)30-27(26)18-8-11-34-12-9-18;1-26(31)9-12-29(13-10-26)20-4-5-21-22(16-20)27-11-6-23(21)33-24-17-30(19-2-3-19)28-25(24)18-7-14-32-15-8-18;1-34(30,31)29-14-18(13-26-29)17-2-5-20-21(12-17)25-9-6-22(20)33-23-15-28(19-3-4-19)27-24(23)16-7-10-32-11-8-16;1-28-14-18(13-26-28)17-2-5-20-21(12-17)25-9-6-22(20)31-23-15-29(19-3-4-19)27-24(23)16-7-10-30-11-8-16;1-4-19-20(11-16(1)17-12-25-26-13-17)24-8-5-21(19)30-22-14-28(18-2-3-18)27-23(22)15-6-9-29-10-7-15/h5-7,10,13,15,17-18,20H,2-4,8-9,11-12,14,16H2,1H3;4-6,11,16-19,31H,2-3,7-10,12-15H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;1,4-5,8,11-15,18H,2-3,6-7,9-10H2,(H,25,26)
InChIKeyGSFJOOBUFGMQNN-UHFFFAOYSA-N
XLogP23.81
TPSA388.84 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds27
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002215.67
LogP ≤ 523.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Analyze 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol (CID 163594460) is 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)CC1.CCn1cc2c(n1)CN(c1ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c1)C2.CS(=O)(=O)n1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.Cn1cc(-c2ccc3c(Oc4cn(C5CC5)nc4C4CCOCC4)ccnc3c2)cn1.c1cc(Oc2cn(C3CC3)nc2C2CCOCC2)c2ccc(-c3cn[nH]c3)cc2n1.
What is the InChIKey of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol?
The InChIKey is GSFJOOBUFGMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C26H32N4O3.C24H25N5O4S.C24H25N5O2.C23H23N5O2/c1-2-32-15-19-14-31(16-24(19)29-32)21-5-6-22-23(13-21)28-10-7-25(22)35-26-17-33(20-3-4-20)30-27(26)18-8-11-34-12-9-18;1-26(31)9-12-29(13-10-26)20-4-5-21-22(16-20)27-11-6-23(21)33-24-17-30(19-2-3-19)28-25(24)18-7-14-32-15-8-18;1-34(30,31)29-14-18(13-26-29)17-2-5-20-21(12-17)25-9-6-22(20)33-23-15-28(19-3-4-19)27-24(23)16-7-10-32-11-8-16;1-28-14-18(13-26-28)17-2-5-20-21(12-17)25-9-6-22(20)31-23-15-29(19-3-4-19)27-24(23)16-7-10-30-11-8-16;1-4-19-20(11-16(1)17-12-25-26-13-17)24-8-5-21(19)30-22-14-28(18-2-3-18)27-23(22)15-6-9-29-10-7-15/h5-7,10,13,15,17-18,20H,2-4,8-9,11-12,14,16H2,1H3;4-6,11,16-19,31H,2-3,7-10,12-15H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;2,5-6,9,12-16,19H,3-4,7-8,10-11H2,1H3;1,4-5,8,11-15,18H,2-3,6-7,9-10H2,(H,25,26).
What are the key properties of 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol?
4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol has a molecular weight of 2215.67 g/mol, XLogP of 23.81, 27 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1-methylsulfonylpyrazol-4-yl)quinoline;4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxy-7-(1H-pyrazol-4-yl)quinoline;1-[4-[1-cyclopropyl-3-(oxan-4-yl)pyrazol-4-yl]oxyquinolin-7-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 163594460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).