4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride

C11H15Cl2N5O3 — CID 172905883

IUPAC4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(OC3CNC(C(=O)O)C3)ncnc21
InChIInChI=1S/C11H13N5O3.2ClH/c1-16-9-7(4-15-16)10(14-5-13-9)19-6-2-8(11(17)18)12-3-6;;/h4-6,8,12H,2-3H2,1H3,(H,17,18);2*1H
InChIKeyHNNFERXGDUVPAH-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.40
Rot. Bonds3

About 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride

4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride (PubChem CID 172905883) has the molecular formula C11H15Cl2N5O3 and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride
PubChem CID172905883
Molecular FormulaC11H15Cl2N5O3
Molecular Weight336.18 g/mol
Exact Mass335.06
IUPAC Name4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.Cn1ncc2c(OC3CNC(C(=O)O)C3)ncnc21
InChIInChI=1S/C11H13N5O3.2ClH/c1-16-9-7(4-15-16)10(14-5-13-9)19-6-2-8(11(17)18)12-3-6;;/h4-6,8,12H,2-3H2,1H3,(H,17,18);2*1H
InChIKeyHNNFERXGDUVPAH-UHFFFAOYSA-N
XLogP0.40
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride (CID 172905883) is 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride is Cl.Cl.Cn1ncc2c(OC3CNC(C(=O)O)C3)ncnc21.
What is the InChIKey of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride?
The InChIKey is HNNFERXGDUVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3.2ClH/c1-16-9-7(4-15-16)10(14-5-13-9)19-6-2-8(11(17)18)12-3-6;;/h4-6,8,12H,2-3H2,1H3,(H,17,18);2*1H.
What are the key properties of 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride?
4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride has a molecular weight of 336.18 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxypyrrolidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 172905883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).