4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine

C18H10Cl2F2N4 — CID 56602536

IUPAC4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(-c4cnccc4C(Cl)Cl)ccnc32)c(F)c1
InChIInChI=1S/C18H10Cl2F2N4/c19-17(20)12-3-5-23-8-13(12)11-4-6-24-18-14(11)9-25-26(18)16-2-1-10(21)7-15(16)22/h1-9,17H
InChIKeyFCSOVRJIXGUFIZ-UHFFFAOYSA-N
MW391.21 g/mol
LogP5.24
Rot. Bonds3

About 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine

4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine (PubChem CID 56602536) has the molecular formula C18H10Cl2F2N4 and a molecular weight of 391.21 g/mol. Its IUPAC name is 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine
PubChem CID56602536
Molecular FormulaC18H10Cl2F2N4
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC Name4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-n2ncc3c(-c4cnccc4C(Cl)Cl)ccnc32)c(F)c1
InChIInChI=1S/C18H10Cl2F2N4/c19-17(20)12-3-5-23-8-13(12)11-4-6-24-18-14(11)9-25-26(18)16-2-1-10(21)7-15(16)22/h1-9,17H
InChIKeyFCSOVRJIXGUFIZ-UHFFFAOYSA-N
XLogP5.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.21
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine (CID 56602536) is 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine is Fc1ccc(-n2ncc3c(-c4cnccc4C(Cl)Cl)ccnc32)c(F)c1.
What is the InChIKey of 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine?
The InChIKey is FCSOVRJIXGUFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F2N4/c19-17(20)12-3-5-23-8-13(12)11-4-6-24-18-14(11)9-25-26(18)16-2-1-10(21)7-15(16)22/h1-9,17H.
What are the key properties of 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine?
4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine has a molecular weight of 391.21 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dichloromethyl)-3-pyridinyl]-1-(2,4-difluorophenyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 56602536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).