5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C13H16N4O4 — CID 170025702

IUPAC5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOC[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CCO1
InChIInChI=1S/C13H16N4O4/c1-20-8-9-7-16(4-5-21-9)11-2-3-17-12(15-11)10(6-14-17)13(18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyMXLLNXNFJAHNHW-SECBINFHSA-N
MW292.30 g/mol
LogP0.28
Rot. Bonds4

About 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 170025702) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID170025702
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCOC[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CCO1
InChIInChI=1S/C13H16N4O4/c1-20-8-9-7-16(4-5-21-9)11-2-3-17-12(15-11)10(6-14-17)13(18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyMXLLNXNFJAHNHW-SECBINFHSA-N
XLogP0.28
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 170025702) is 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is COC[C@H]1CN(c2ccn3ncc(C(=O)O)c3n2)CCO1.
What is the InChIKey of 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is MXLLNXNFJAHNHW-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-20-8-9-7-16(4-5-21-9)11-2-3-17-12(15-11)10(6-14-17)13(18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 170025702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).