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

C20H26N4O4 — CID 177302743

IUPAC5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2
InChIInChI=1S/C20H26N4O4/c1-12(2)24-15-8-9-23(11-14(15)17(22-24)18(25)26)16-7-6-13(10-21-16)19(27)28-20(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,25,26)
InChIKeyBFXSVNRAKHSISR-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.08
Rot. Bonds4

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

5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 177302743) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID177302743
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)n1nc(C(=O)O)c2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2
InChIInChI=1S/C20H26N4O4/c1-12(2)24-15-8-9-23(11-14(15)17(22-24)18(25)26)16-7-6-13(10-21-16)19(27)28-20(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,25,26)
InChIKeyBFXSVNRAKHSISR-UHFFFAOYSA-N
XLogP3.08
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 177302743) is 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)n1nc(C(=O)O)c2c1CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2.
What is the InChIKey of 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is BFXSVNRAKHSISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-12(2)24-15-8-9-23(11-14(15)17(22-24)18(25)26)16-7-6-13(10-21-16)19(27)28-20(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,25,26).
What are the key properties of 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 386.45 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 177302743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).