3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid

C17H23N3O4 — CID 155092497

IUPAC3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C34CC(C(=O)O)(C3)C4)c2C1
InChIInChI=1S/C17H23N3O4/c1-15(2,3)24-14(23)20-5-4-11-10(6-20)12(19-18-11)16-7-17(8-16,9-16)13(21)22/h4-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKeyHDSOJMCROUCHEO-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.21
Rot. Bonds2

About 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid

3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 155092497) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID155092497
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(C34CC(C(=O)O)(C3)C4)c2C1
InChIInChI=1S/C17H23N3O4/c1-15(2,3)24-14(23)20-5-4-11-10(6-20)12(19-18-11)16-7-17(8-16,9-16)13(21)22/h4-9H2,1-3H3,(H,18,19)(H,21,22)
InChIKeyHDSOJMCROUCHEO-UHFFFAOYSA-N
XLogP2.21
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid (CID 155092497) is 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCc2[nH]nc(C34CC(C(=O)O)(C3)C4)c2C1.
What is the InChIKey of 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is HDSOJMCROUCHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-15(2,3)24-14(23)20-5-4-11-10(6-20)12(19-18-11)16-7-17(8-16,9-16)13(21)22/h4-9H2,1-3H3,(H,18,19)(H,21,22).
What are the key properties of 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid?
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 155092497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).