3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C21H30N8O — CID 46887484

IUPAC3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC(C)C)c2c(Nc3ccccn3)nc(N3CCNCC3)nc12
InChIInChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)13-14-30-15(2)3)20(24-17-7-5-6-8-23-17)26-21(25-18)28-11-9-22-10-12-28/h5-8,15,22H,4,9-14H2,1-3H3,(H,23,24,25,26)
InChIKeyNAESPHRIHJCLJZ-UHFFFAOYSA-N
MW410.53 g/mol
LogP2.36
Rot. Bonds8

About 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 46887484) has the molecular formula C21H30N8O and a molecular weight of 410.53 g/mol. Its IUPAC name is 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID46887484
Molecular FormulaC21H30N8O
Molecular Weight410.53 g/mol
Exact Mass410.25
IUPAC Name3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC(C)C)c2c(Nc3ccccn3)nc(N3CCNCC3)nc12
InChIInChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)13-14-30-15(2)3)20(24-17-7-5-6-8-23-17)26-21(25-18)28-11-9-22-10-12-28/h5-8,15,22H,4,9-14H2,1-3H3,(H,23,24,25,26)
InChIKeyNAESPHRIHJCLJZ-UHFFFAOYSA-N
XLogP2.36
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 46887484) is 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCc1nn(CCOC(C)C)c2c(Nc3ccccn3)nc(N3CCNCC3)nc12.
What is the InChIKey of 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is NAESPHRIHJCLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)13-14-30-15(2)3)20(24-17-7-5-6-8-23-17)26-21(25-18)28-11-9-22-10-12-28/h5-8,15,22H,4,9-14H2,1-3H3,(H,23,24,25,26).
What are the key properties of 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 410.53 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-piperazin-1-yl-1-(2-propan-2-yloxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 46887484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).