7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine

C19H18ClN3O — CID 155069559

IUPAC7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine
SMILESC=Cc1c(/C=C\C)nc(Cl)c2nn(Cc3ccc(OC)cc3)cc12
InChIInChI=1S/C19H18ClN3O/c1-4-6-17-15(5-2)16-12-23(22-18(16)19(20)21-17)11-13-7-9-14(24-3)10-8-13/h4-10,12H,2,11H2,1,3H3/b6-4-
InChIKeyATJNYAJSRBIWLL-XQRVVYSFSA-N
MW339.83 g/mol
LogP4.82
Rot. Bonds5

About 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine

7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine (PubChem CID 155069559) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine
PubChem CID155069559
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine
SMILESC=Cc1c(/C=C\C)nc(Cl)c2nn(Cc3ccc(OC)cc3)cc12
InChIInChI=1S/C19H18ClN3O/c1-4-6-17-15(5-2)16-12-23(22-18(16)19(20)21-17)11-13-7-9-14(24-3)10-8-13/h4-10,12H,2,11H2,1,3H3/b6-4-
InChIKeyATJNYAJSRBIWLL-XQRVVYSFSA-N
XLogP4.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine?
The IUPAC name of 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine (CID 155069559) is 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine?
The canonical SMILES for 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine is C=Cc1c(/C=C\C)nc(Cl)c2nn(Cc3ccc(OC)cc3)cc12.
What is the InChIKey of 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine?
The InChIKey is ATJNYAJSRBIWLL-XQRVVYSFSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-4-6-17-15(5-2)16-12-23(22-18(16)19(20)21-17)11-13-7-9-14(24-3)10-8-13/h4-10,12H,2,11H2,1,3H3/b6-4-.
What are the key properties of 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine?
7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine has a molecular weight of 339.83 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-prop-1-enyl]pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 155069559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).