(3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid

C15H14N6O4 — CID 136644270

About (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid

(3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid (PubChem CID 136644270) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid
• PubChem CID: 136644270
• Molecular Formula: C15H14N6O4
• Molecular Weight: 342.32 g/mol
• Exact Mass: 342.11
• IUPAC Name: (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid
• SMILES: O=C(O)N1CC[C@@H](c2[nH]ncc2Oc2nc3cnccc3c(=O)[nH]2)C1
• InChI: InChI=1S/C15H14N6O4/c22-13-9-1-3-16-5-10(9)18-14(19-13)25-11-6-17-20-12(11)8-2-4-21(7-8)15(23)24/h1,3,5-6,8H,2,4,7H2,(H,17,20)(H,23,24)(H,18,19,22)/t8-/m1/s1
• InChIKey: HZSDTKPWGAACAG-MRVPVSSYSA-N
• XLogP: 1.30
• TPSA: 137.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.32
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid?

The IUPAC name of (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid (CID 136644270) is (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid.

What is the SMILES notation for (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid?

The canonical SMILES for (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](c2[nH]ncc2Oc2nc3cnccc3c(=O)[nH]2)C1.

What is the InChIKey of (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid?

The InChIKey is HZSDTKPWGAACAG-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14N6O4/c22-13-9-1-3-16-5-10(9)18-14(19-13)25-11-6-17-20-12(11)8-2-4-21(7-8)15(23)24/h1,3,5-6,8H,2,4,7H2,(H,17,20)(H,23,24)(H,18,19,22)/t8-/m1/s1.

What are the key properties of (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid?

(3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-2-yl)oxy]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 136644270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).