4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

C38H36N4O2 — CID 90401025

IUPAC4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H36N4O2/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/h3-21,26-28H,22-25H2,1-2H3
InChIKeyCGEXOTIEQIILMB-UHFFFAOYSA-N
MW580.73 g/mol
LogP7.56
Rot. Bonds8

About 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine

4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 90401025) has the molecular formula C38H36N4O2 and a molecular weight of 580.73 g/mol. Its IUPAC name is 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
PubChem CID90401025
Molecular FormulaC38H36N4O2
Molecular Weight580.73 g/mol
Exact Mass580.28
IUPAC Name4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H36N4O2/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/h3-21,26-28H,22-25H2,1-2H3
InChIKeyCGEXOTIEQIILMB-UHFFFAOYSA-N
XLogP7.56
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.73
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (CID 90401025) is 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is CC(C)Oc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is CGEXOTIEQIILMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N4O2/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/h3-21,26-28H,22-25H2,1-2H3.
What are the key properties of 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 580.73 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-propan-2-yloxy-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 90401025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).