1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride

C18H15ClFN5O2 — CID 121452338

IUPAC1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(-c2ccc(Cn3nc(C(=O)O)c4ncccc43)c(F)c2)cn1
InChIInChI=1S/C18H14FN5O2.ClH/c1-23-9-13(8-21-23)11-4-5-12(14(19)7-11)10-24-15-3-2-6-20-16(15)17(22-24)18(25)26;/h2-9H,10H2,1H3,(H,25,26);1H
InChIKeyXWNHOAPYDHRCBC-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.14
Rot. Bonds4

About 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride

1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 121452338) has the molecular formula C18H15ClFN5O2 and a molecular weight of 387.80 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
PubChem CID121452338
Molecular FormulaC18H15ClFN5O2
Molecular Weight387.80 g/mol
Exact Mass387.09
IUPAC Name1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(-c2ccc(Cn3nc(C(=O)O)c4ncccc43)c(F)c2)cn1
InChIInChI=1S/C18H14FN5O2.ClH/c1-23-9-13(8-21-23)11-4-5-12(14(19)7-11)10-24-15-3-2-6-20-16(15)17(22-24)18(25)26;/h2-9H,10H2,1H3,(H,25,26);1H
InChIKeyXWNHOAPYDHRCBC-UHFFFAOYSA-N
XLogP3.14
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride (CID 121452338) is 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride is Cl.Cn1cc(-c2ccc(Cn3nc(C(=O)O)c4ncccc43)c(F)c2)cn1.
What is the InChIKey of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is XWNHOAPYDHRCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2.ClH/c1-23-9-13(8-21-23)11-4-5-12(14(19)7-11)10-24-15-3-2-6-20-16(15)17(22-24)18(25)26;/h2-9H,10H2,1H3,(H,25,26);1H.
What are the key properties of 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride?
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 387.80 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazolo[4,3-b]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 121452338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).