2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid

C19H18N6O4 — CID 141133524

IUPAC2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCN3C(=O)O)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H18N6O4/c1-29-17-7-6-13(12-21-17)25-16(14-5-2-3-8-20-14)11-15(22-25)18(26)23-9-4-10-24(23)19(27)28/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,27,28)
InChIKeyKORZYYLIKGGBLW-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid

2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid (PubChem CID 141133524) has the molecular formula C19H18N6O4 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
PubChem CID141133524
Molecular FormulaC19H18N6O4
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCN3C(=O)O)cc2-c2ccccn2)cn1
InChIInChI=1S/C19H18N6O4/c1-29-17-7-6-13(12-21-17)25-16(14-5-2-3-8-20-14)11-15(22-25)18(26)23-9-4-10-24(23)19(27)28/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,27,28)
InChIKeyKORZYYLIKGGBLW-UHFFFAOYSA-N
XLogP2.08
TPSA113.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid?
The IUPAC name of 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid (CID 141133524) is 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid.
What is the SMILES notation for 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid?
The canonical SMILES for 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid is COc1ccc(-n2nc(C(=O)N3CCCN3C(=O)O)cc2-c2ccccn2)cn1.
What is the InChIKey of 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid?
The InChIKey is KORZYYLIKGGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4/c1-29-17-7-6-13(12-21-17)25-16(14-5-2-3-8-20-14)11-15(22-25)18(26)23-9-4-10-24(23)19(27)28/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,27,28).
What are the key properties of 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid?
2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid has a molecular weight of 394.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid is sourced from PubChem (CID 141133524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).