6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine

C30H24ClN5O — CID 118272363

IUPAC6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12
InChIInChI=1S/C30H24ClN5O/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3
InChIKeySRBSAZNJBAPJDL-UHFFFAOYSA-N
MW506.01 g/mol
LogP6.33
Rot. Bonds6

About 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine

6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 118272363) has the molecular formula C30H24ClN5O and a molecular weight of 506.01 g/mol. Its IUPAC name is 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID118272363
Molecular FormulaC30H24ClN5O
Molecular Weight506.01 g/mol
Exact Mass505.17
IUPAC Name6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESCOc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12
InChIInChI=1S/C30H24ClN5O/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3
InChIKeySRBSAZNJBAPJDL-UHFFFAOYSA-N
XLogP6.33
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine (CID 118272363) is 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine is COc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)nc(-c3ccn(C)n3)c12.
What is the InChIKey of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is SRBSAZNJBAPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN5O/c1-35-19-18-24(33-35)28-27-25(20-26(31)32-28)36(34-29(27)37-2)30(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3.
What are the key properties of 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 506.01 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-4-(1-methylpyrazol-3-yl)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118272363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).