4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

C39H37N5O3 — CID 66825310

IUPAC4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3cccc(N4CCOCC4)n3)c3c(OC4CCOCC4)nccc32)cc1
InChIInChI=1S/C39H37N5O3/c1-4-11-29(12-5-1)39(30-13-6-2-7-14-30,31-15-8-3-9-16-31)44-34-19-22-40-38(47-32-20-25-45-26-21-32)36(34)37(42-44)33-17-10-18-35(41-33)43-23-27-46-28-24-43/h1-19,22,32H,20-21,23-28H2
InChIKeyRAKWTASLPINGOE-UHFFFAOYSA-N
MW623.76 g/mol
LogP6.73
Rot. Bonds8

About 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine

4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (PubChem CID 66825310) has the molecular formula C39H37N5O3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
PubChem CID66825310
Molecular FormulaC39H37N5O3
Molecular Weight623.76 g/mol
Exact Mass623.29
IUPAC Name4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3cccc(N4CCOCC4)n3)c3c(OC4CCOCC4)nccc32)cc1
InChIInChI=1S/C39H37N5O3/c1-4-11-29(12-5-1)39(30-13-6-2-7-14-30,31-15-8-3-9-16-31)44-34-19-22-40-38(47-32-20-25-45-26-21-32)36(34)37(42-44)33-17-10-18-35(41-33)43-23-27-46-28-24-43/h1-19,22,32H,20-21,23-28H2
InChIKeyRAKWTASLPINGOE-UHFFFAOYSA-N
XLogP6.73
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine (CID 66825310) is 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3cccc(N4CCOCC4)n3)c3c(OC4CCOCC4)nccc32)cc1.
What is the InChIKey of 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
The InChIKey is RAKWTASLPINGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37N5O3/c1-4-11-29(12-5-1)39(30-13-6-2-7-14-30,31-15-8-3-9-16-31)44-34-19-22-40-38(47-32-20-25-45-26-21-32)36(34)37(42-44)33-17-10-18-35(41-33)43-23-27-46-28-24-43/h1-19,22,32H,20-21,23-28H2.
What are the key properties of 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine?
4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine has a molecular weight of 623.76 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 66825310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).