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

C19H14F2N4O — CID 155389629

IUPAC6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)c1
InChIInChI=1S/C19H14F2N4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-16(20)17(21)5-13/h2-10H,11H2,1H3
InChIKeyZKVKAYRHLLLRDS-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.83
Rot. Bonds4

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

6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389629) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389629
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cncc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)c1
InChIInChI=1S/C19H14F2N4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-16(20)17(21)5-13/h2-10H,11H2,1H3
InChIKeyZKVKAYRHLLLRDS-UHFFFAOYSA-N
XLogP3.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647437
Jnj-42259152
CID 51353528
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731838
3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
3-[(2S)-2-amino-3-phenylpropoxy]-5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647436
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-ethenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647440
3-[(2S)-2-amino-3-phenylpropoxy]-5-[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridine
CID 23647442
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389629) is 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1cncc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is ZKVKAYRHLLLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-26-15-4-12(7-22-9-15)11-25-19-6-14(8-23-18(19)10-24-25)13-2-3-16(20)17(21)5-13/h2-10H,11H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 352.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).