4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde

C60H60F3N7O5 — CID 157193446

IUPAC4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F
InChIInChI=1S/C38H36N4O2.C20H23N3O2.C2HF3O/c1-28(2)44-33-18-19-35-34(27-33)37(29-20-21-39-36(26-29)41-22-24-43-25-23-41)40-42(35)38(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-24-10-8-23;3-2(4,5)1-6/h3-21,26-28H,22-25H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3;1H
InChIKeyAPYUCAJENBWNTJ-UHFFFAOYSA-N
MW1016.18 g/mol
LogP11.37
Rot. Bonds12

About 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde

4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde (PubChem CID 157193446) has the molecular formula C60H60F3N7O5 and a molecular weight of 1016.18 g/mol. Its IUPAC name is 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde
PubChem CID157193446
Molecular FormulaC60H60F3N7O5
Molecular Weight1016.18 g/mol
Exact Mass1015.46
IUPAC Name4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde
SMILESCC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F
InChIInChI=1S/C38H36N4O2.C20H23N3O2.C2HF3O/c1-28(2)44-33-18-19-35-34(27-33)37(29-20-21-39-36(26-29)41-22-24-43-25-23-41)40-42(35)38(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-24-10-8-23;3-2(4,5)1-6/h3-21,26-28H,22-25H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3;1H
InChIKeyAPYUCAJENBWNTJ-UHFFFAOYSA-N
XLogP11.37
TPSA116.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.18
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

4-[4-(7-fluoro-5-propan-2-yloxy-2H-indazol-3-yl)-2-pyridinyl]morpholine
CID 118082080
4-[4-[4-(2,2,2-Trifluoroethoxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]pyridin-2-yl]morpholine
CID 66825979
4-[4-[5-(4,4-difluorobut-3-enoxy)-1H-indazol-3-yl]pyridin-2-yl]morpholine
CID 85472083
3-[2-(3,3-Difluoropyrrolidin-1-yl)pyridin-4-yl]-5-propan-2-yloxy-1-tritylindazole
CID 90400827
4-[4-(6-Fluoro-5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
CID 90400880
N-[[4-[6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridin-3-yl]methyl]methanimine
CID 134511800
4-[4-[5-(Difluoromethoxy)-1-tritylpyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 140800637
3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole
CID 157510820
3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;3-(2-fluoro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;hydrochloride
CID 161007616
3-(2-chloro-4-pyridinyl)-5-propan-2-yloxy-1-tritylindazole;3,3-difluoropyrrolidine;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;hydrochloride
CID 161495086
3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-isoindole;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1-tritylindazole;2,2,2-trifluoroacetaldehyde
CID 161734031
4-[1-[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-3-fluoro-2-pyridinyl]-3-methylazetidin-3-yl]morpholine
CID 170708619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde (CID 157193446) is 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde is CC(C)Oc1ccc2c(c1)C(c1ccnc(N3CCOCC3)c1)=NC2.CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.O=CC(F)(F)F.
What is the InChIKey of 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde?
The InChIKey is APYUCAJENBWNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4O2.C20H23N3O2.C2HF3O/c1-28(2)44-33-18-19-35-34(27-33)37(29-20-21-39-36(26-29)41-22-24-43-25-23-41)40-42(35)38(30-12-6-3-7-13-30,31-14-8-4-9-15-31)32-16-10-5-11-17-32;1-14(2)25-17-4-3-16-13-22-20(18(16)12-17)15-5-6-21-19(11-15)23-7-9-24-10-8-23;3-2(4,5)1-6/h3-21,26-28H,22-25H2,1-2H3;3-6,11-12,14H,7-10,13H2,1-2H3;1H.
What are the key properties of 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde?
4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1016.18 g/mol, XLogP of 11.37, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 157193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).