2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

C14H20N6O2 — CID 42099675

IUPAC2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C14H20N6O2/c1-22-9-12(21)15-4-7-20-14-11(8-18-20)13(16-10-17-14)19-5-2-3-6-19/h8,10H,2-7,9H2,1H3,(H,15,21)
InChIKeyBVZLSQWCSJEKKD-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.19
Rot. Bonds6

About 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide

2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (PubChem CID 42099675) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
PubChem CID42099675
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1ncc2c(N3CCCC3)ncnc21
InChIInChI=1S/C14H20N6O2/c1-22-9-12(21)15-4-7-20-14-11(8-18-20)13(16-10-17-14)19-5-2-3-6-19/h8,10H,2-7,9H2,1H3,(H,15,21)
InChIKeyBVZLSQWCSJEKKD-UHFFFAOYSA-N
XLogP0.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide (CID 42099675) is 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is COCC(=O)NCCn1ncc2c(N3CCCC3)ncnc21.
What is the InChIKey of 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
The InChIKey is BVZLSQWCSJEKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-22-9-12(21)15-4-7-20-14-11(8-18-20)13(16-10-17-14)19-5-2-3-6-19/h8,10H,2-7,9H2,1H3,(H,15,21).
What are the key properties of 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide?
2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42099675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).