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

C19H22FN3O4 — CID 91864711

IUPAC1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)22-9-8-15-14(11-22)16(17(24)25)21-23(15)10-12-4-6-13(20)7-5-12/h4-7H,8-11H2,1-3H3,(H,24,25)
InChIKeyJRSLWCBJSDLGPO-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.06
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 91864711) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID91864711
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)22-9-8-15-14(11-22)16(17(24)25)21-23(15)10-12-4-6-13(20)7-5-12/h4-7H,8-11H2,1-3H3,(H,24,25)
InChIKeyJRSLWCBJSDLGPO-UHFFFAOYSA-N
XLogP3.06
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.06
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]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 91864711) is 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CCc2c(c(C(=O)O)nn2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is JRSLWCBJSDLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-19(2,3)27-18(26)22-9-8-15-14(11-22)16(17(24)25)21-23(15)10-12-4-6-13(20)7-5-12/h4-7H,8-11H2,1-3H3,(H,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 375.40 g/mol, XLogP of 3.06, 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]-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 91864711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).