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

C36H32N4O — CID 118655271

IUPAC4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32N4O/c1-27-17-18-33-32(25-27)35(28-19-20-37-34(26-28)39-21-23-41-24-22-39)38-40(33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-20,25-26H,21-24H2,1H3
InChIKeySUIYQUXFEXKHHV-UHFFFAOYSA-N
MW536.68 g/mol
LogP7.08
Rot. Bonds6

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

4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (PubChem CID 118655271) has the molecular formula C36H32N4O and a molecular weight of 536.68 g/mol. Its IUPAC name is 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
PubChem CID118655271
Molecular FormulaC36H32N4O
Molecular Weight536.68 g/mol
Exact Mass536.26
IUPAC Name4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine
SMILESCc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32N4O/c1-27-17-18-33-32(25-27)35(28-19-20-37-34(26-28)39-21-23-41-24-22-39)38-40(33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-20,25-26H,21-24H2,1H3
InChIKeySUIYQUXFEXKHHV-UHFFFAOYSA-N
XLogP7.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine (CID 118655271) is 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is Cc1ccc2c(c1)c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
The InChIKey is SUIYQUXFEXKHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O/c1-27-17-18-33-32(25-27)35(28-19-20-37-34(26-28)39-21-23-41-24-22-39)38-40(33)36(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-20,25-26H,21-24H2,1H3.
What are the key properties of 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine?
4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine has a molecular weight of 536.68 g/mol, XLogP of 7.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1-tritylindazol-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 118655271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).