2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid

C17H20N4O5 — CID 123505962

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid
SMILESCn1cc(-c2cnc3c(c2)OC(NC(=O)OC(C)(C)C)C3C(=O)O)cn1
InChIInChI=1S/C17H20N4O5/c1-17(2,3)26-16(24)20-14-12(15(22)23)13-11(25-14)5-9(6-18-13)10-7-19-21(4)8-10/h5-8,12,14H,1-4H3,(H,20,24)(H,22,23)
InChIKeyUZAPUIAGWDSAJJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.89
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid (PubChem CID 123505962) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid
PubChem CID123505962
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid
SMILESCn1cc(-c2cnc3c(c2)OC(NC(=O)OC(C)(C)C)C3C(=O)O)cn1
InChIInChI=1S/C17H20N4O5/c1-17(2,3)26-16(24)20-14-12(15(22)23)13-11(25-14)5-9(6-18-13)10-7-19-21(4)8-10/h5-8,12,14H,1-4H3,(H,20,24)(H,22,23)
InChIKeyUZAPUIAGWDSAJJ-UHFFFAOYSA-N
XLogP1.89
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid (CID 123505962) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid is Cn1cc(-c2cnc3c(c2)OC(NC(=O)OC(C)(C)C)C3C(=O)O)cn1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is UZAPUIAGWDSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-17(2,3)26-16(24)20-14-12(15(22)23)13-11(25-14)5-9(6-18-13)10-7-19-21(4)8-10/h5-8,12,14H,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(1-methylpyrazol-4-yl)-2,3-dihydrofuro[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 123505962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).