1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid

C20H24FN3O4 — CID 91864716

IUPAC1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21
InChIInChI=1S/C20H24FN3O4/c1-12-9-23(19(27)28-20(2,3)4)11-15-16(18(25)26)22-24(17(12)15)10-13-5-7-14(21)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,25,26)
InChIKeyHPUOZIWZGQLAHK-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.62
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid (PubChem CID 91864716) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
PubChem CID91864716
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
SMILESCC1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21
InChIInChI=1S/C20H24FN3O4/c1-12-9-23(19(27)28-20(2,3)4)11-15-16(18(25)26)22-24(17(12)15)10-13-5-7-14(21)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,25,26)
InChIKeyHPUOZIWZGQLAHK-UHFFFAOYSA-N
XLogP3.62
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid (CID 91864716) is 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid is CC1CN(C(=O)OC(C)(C)C)Cc2c(C(=O)O)nn(Cc3ccc(F)cc3)c21.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
The InChIKey is HPUOZIWZGQLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-12-9-23(19(27)28-20(2,3)4)11-15-16(18(25)26)22-24(17(12)15)10-13-5-7-14(21)8-6-13/h5-8,12H,9-11H2,1-4H3,(H,25,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid has a molecular weight of 389.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 91864716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).