3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine

C33H33N3O2 — CID 123593101

IUPAC3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(C)nc(OC3CCOCC3)c12
InChIInChI=1S/C33H33N3O2/c1-3-29-31-30(23-24(2)34-32(31)38-28-19-21-37-22-20-28)36(35-29)33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23,28H,3,19-22H2,1-2H3
InChIKeyOUOHGRAQUOEBJR-UHFFFAOYSA-N
MW503.65 g/mol
LogP6.70
Rot. Bonds7

About 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine

3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 123593101) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID123593101
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC Name3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(C)nc(OC3CCOCC3)c12
InChIInChI=1S/C33H33N3O2/c1-3-29-31-30(23-24(2)34-32(31)38-28-19-21-37-22-20-28)36(35-29)33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23,28H,3,19-22H2,1-2H3
InChIKeyOUOHGRAQUOEBJR-UHFFFAOYSA-N
XLogP6.70
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.70
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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Related Compounds

4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66825310
3-(3H-isoindol-5-yl)-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 66826839
4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 71007805
6-methyl-2-(oxan-4-yloxy)-4-(tritylamino)pyridine-3-carboximidoyl iodide
CID 163697752
N-[[4,6-dimethyl-2-(oxan-4-yloxy)-3-pyridinyl]methyl]ethanamine
CID 55058614
4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 59619118
[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79163433
4-phenoxyoxane
CID 58483739
N-methyl-1-[6-methyl-3-(oxan-4-yloxy)-2-pyridinyl]methanamine
CID 79150869
6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757
N-methyl-1-[1-(oxan-4-yloxy)isoquinolin-3-yl]methanamine
CID 62288419
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80873271

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine (CID 123593101) is 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine is CCc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(C)nc(OC3CCOCC3)c12.
What is the InChIKey of 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is OUOHGRAQUOEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-3-29-31-30(23-24(2)34-32(31)38-28-19-21-37-22-20-28)36(35-29)33(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23,28H,3,19-22H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine?
3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 503.65 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 123593101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).