6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine

C32H25ClN4O — CID 118272562

IUPAC6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnc(C)c3)c12
InChIInChI=1S/C32H25ClN4O/c1-22-20-23(18-19-34-22)30-29-27(21-28(33)35-30)37(36-31(29)38-2)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21H,1-2H3
InChIKeyMWAMGRWMEHPZAC-UHFFFAOYSA-N
MW517.03 g/mol
LogP7.30
Rot. Bonds6

About 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine

6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 118272562) has the molecular formula C32H25ClN4O and a molecular weight of 517.03 g/mol. Its IUPAC name is 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID118272562
Molecular FormulaC32H25ClN4O
Molecular Weight517.03 g/mol
Exact Mass516.17
IUPAC Name6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnc(C)c3)c12
InChIInChI=1S/C32H25ClN4O/c1-22-20-23(18-19-34-22)30-29-27(21-28(33)35-30)37(36-31(29)38-2)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21H,1-2H3
InChIKeyMWAMGRWMEHPZAC-UHFFFAOYSA-N
XLogP7.30
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine (CID 118272562) is 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine is COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccnc(C)c3)c12.
What is the InChIKey of 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is MWAMGRWMEHPZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN4O/c1-22-20-23(18-19-34-22)30-29-27(21-28(33)35-30)37(36-31(29)38-2)32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21H,1-2H3.
What are the key properties of 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine?
6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 517.03 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-4-(2-methyl-4-pyridinyl)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118272562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).