5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine

C23H20ClN3O2 — CID 172739208

IUPAC5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCCO3)c2cn1
InChIInChI=1S/C23H20ClN3O2/c24-21-14-19-20(15-25-21)27(22-8-4-5-13-28-22)26-23(19)16-9-11-18(12-10-16)29-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,22H,4-5,8,13H2
InChIKeyIWAVGVJQCCBFEM-UHFFFAOYSA-N
MW405.89 g/mol
LogP6.24
Rot. Bonds4

About 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine

5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine (PubChem CID 172739208) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
PubChem CID172739208
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine
SMILESClc1cc2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCCO3)c2cn1
InChIInChI=1S/C23H20ClN3O2/c24-21-14-19-20(15-25-21)27(22-8-4-5-13-28-22)26-23(19)16-9-11-18(12-10-16)29-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,22H,4-5,8,13H2
InChIKeyIWAVGVJQCCBFEM-UHFFFAOYSA-N
XLogP6.24
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(furan-3-yl)-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 155482158
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156565616
3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137657
3-(6-chloro-3-pyridinyl)-5-[(1R)-1-(3,5-dichloro-2-methyl-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 156578188
3-(4-chlorophenyl)-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480117
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-phenylethynyl)indazole
CID 22480208
1-(oxan-2-yl)-5-pyridin-3-yl-3-(2H-pyrrol-5-yl)pyrazolo[3,4-c]pyridine
CID 146944332
3-(2-chloropyrimidin-5-yl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 169101649
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
3-chloro-1-(oxan-2-yl)indazole
CID 66909910
3-cyclopenta-1,2,4-trien-1-yl-1-(oxan-2-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridine
CID 89405242
6-chloro-3-(cyclopropylmethyl)-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 170351982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine (CID 172739208) is 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine is Clc1cc2c(-c3ccc(Oc4ccccc4)cc3)nn(C3CCCCO3)c2cn1.
What is the InChIKey of 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine?
The InChIKey is IWAVGVJQCCBFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c24-21-14-19-20(15-25-21)27(22-8-4-5-13-28-22)26-23(19)16-9-11-18(12-10-16)29-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,22H,4-5,8,13H2.
What are the key properties of 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine?
5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine has a molecular weight of 405.89 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(oxan-2-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 172739208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).