3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one

C28H20ClN5O3 — CID 118272454

IUPAC3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-n3ncoc3=O)c12
InChIInChI=1S/C28H20ClN5O3/c1-36-26-24-22(17-23(29)31-25(24)33-27(35)37-18-30-33)34(32-26)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3
InChIKeyVQNSTSJFTMUBGU-UHFFFAOYSA-N
MW509.95 g/mol
LogP5.07
Rot. Bonds6

About 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one

3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one (PubChem CID 118272454) has the molecular formula C28H20ClN5O3 and a molecular weight of 509.95 g/mol. Its IUPAC name is 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one
PubChem CID118272454
Molecular FormulaC28H20ClN5O3
Molecular Weight509.95 g/mol
Exact Mass509.13
IUPAC Name3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-n3ncoc3=O)c12
InChIInChI=1S/C28H20ClN5O3/c1-36-26-24-22(17-23(29)31-25(24)33-27(35)37-18-30-33)34(32-26)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3
InChIKeyVQNSTSJFTMUBGU-UHFFFAOYSA-N
XLogP5.07
TPSA87.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.95
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)carbamic acid
CID 118365008
6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272363
6-chloro-3-methoxy-4-(2-methylpyrimidin-4-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272556
6-chloro-3-iodo-4-methyl-1-tritylpyrazolo[4,3-c]pyridine
CID 161431757
benzyl-[4-(hydroxymethyl)-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-6-yl]carbamic acid
CID 118365106
6-chloro-3-(2-methoxyethoxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 118272494
4-(bromomethyl)-6-chloro-3-[2-(difluoromethoxy)ethoxy]-1-tritylpyrazolo[4,3-c]pyridine
CID 118371766
1-[4-(hydroxymethyl)-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 118271830
6-chloro-3-iodo-1-tritylpyrazolo[4,3-c]pyridine
CID 161440732
3-methoxy-6-[(1R)-1-phenylethyl]-1-trityl-5,8-dihydropyrazolo[4,5-g]quinazolin-7-one
CID 136984215
6-chloro-N-methyl-1-tritylpyrazolo[4,3-c]pyridin-3-amine
CID 118272406
3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 123593101

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one (CID 118272454) is 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one is COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-n3ncoc3=O)c12.
What is the InChIKey of 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is VQNSTSJFTMUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20ClN5O3/c1-36-26-24-22(17-23(29)31-25(24)33-27(35)37-18-30-33)34(32-26)28(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3.
What are the key properties of 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one?
3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 509.95 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-methoxy-1-tritylpyrazolo[4,3-c]pyridin-4-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 118272454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).