1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine

C19H12F4N4O — CID 155389333

IUPAC1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc1F
InChIInChI=1S/C19H12F4N4O/c20-15-2-1-12(4-16(15)21)13-5-18-17(25-7-13)9-26-27(18)10-11-3-14(8-24-6-11)28-19(22)23/h1-9,19H,10H2
InChIKeyCAXXLVCNPVMSFB-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.42
Rot. Bonds5

About 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine

1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine (PubChem CID 155389333) has the molecular formula C19H12F4N4O and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine
PubChem CID155389333
Molecular FormulaC19H12F4N4O
Molecular Weight388.32 g/mol
Exact Mass388.09
IUPAC Name1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc1F
InChIInChI=1S/C19H12F4N4O/c20-15-2-1-12(4-16(15)21)13-5-18-17(25-7-13)9-26-27(18)10-11-3-14(8-24-6-11)28-19(22)23/h1-9,19H,10H2
InChIKeyCAXXLVCNPVMSFB-UHFFFAOYSA-N
XLogP4.42
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine (CID 155389333) is 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cncc(OC(F)F)c4)c3c2)cc1F.
What is the InChIKey of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine?
The InChIKey is CAXXLVCNPVMSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O/c20-15-2-1-12(4-16(15)21)13-5-18-17(25-7-13)9-26-27(18)10-11-3-14(8-24-6-11)28-19(22)23/h1-9,19H,10H2.
What are the key properties of 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine?
1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine has a molecular weight of 388.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(difluoromethoxy)-3-pyridinyl]methyl]-6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).