7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid

C19H20N4O3 — CID 167937372

IUPAC7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid
SMILESCn1ncc2c(C(=O)NC3C4CC5C(C4)C53C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C19H20N4O3/c1-23-16-11(7-20-23)10(6-14(21-16)8-2-3-8)17(24)22-15-9-4-12-13(5-9)19(12,15)18(25)26/h6-9,12-13,15H,2-5H2,1H3,(H,22,24)(H,25,26)
InChIKeyBIJUDIWVJLHGRX-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.68
Rot. Bonds4

About 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid

7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid (PubChem CID 167937372) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid.

Molecular Properties

Compound Name7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid
PubChem CID167937372
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid
SMILESCn1ncc2c(C(=O)NC3C4CC5C(C4)C53C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C19H20N4O3/c1-23-16-11(7-20-23)10(6-14(21-16)8-2-3-8)17(24)22-15-9-4-12-13(5-9)19(12,15)18(25)26/h6-9,12-13,15H,2-5H2,1H3,(H,22,24)(H,25,26)
InChIKeyBIJUDIWVJLHGRX-UHFFFAOYSA-N
XLogP1.68
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid?
The IUPAC name of 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid (CID 167937372) is 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid.
What is the SMILES notation for 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid?
The canonical SMILES for 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid is Cn1ncc2c(C(=O)NC3C4CC5C(C4)C53C(=O)O)cc(C3CC3)nc21.
What is the InChIKey of 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid?
The InChIKey is BIJUDIWVJLHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-23-16-11(7-20-23)10(6-14(21-16)8-2-3-8)17(24)22-15-9-4-12-13(5-9)19(12,15)18(25)26/h6-9,12-13,15H,2-5H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid?
7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]tricyclo[2.2.1.02,6]heptane-1-carboxylic acid is sourced from PubChem (CID 167937372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).