3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide

C21H32N6O — CID 27545812

IUPAC3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCn1ncc2c(N3CCCCC3)ncnc21
InChIInChI=1S/C21H32N6O/c28-19(10-9-17-7-3-1-4-8-17)22-11-14-27-21-18(15-25-27)20(23-16-24-21)26-12-5-2-6-13-26/h15-17H,1-14H2,(H,22,28)
InChIKeyFQCJROLSFTXEBD-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.29
Rot. Bonds7

About 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide

3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide (PubChem CID 27545812) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
PubChem CID27545812
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide
SMILESO=C(CCC1CCCCC1)NCCn1ncc2c(N3CCCCC3)ncnc21
InChIInChI=1S/C21H32N6O/c28-19(10-9-17-7-3-1-4-8-17)22-11-14-27-21-18(15-25-27)20(23-16-24-21)26-12-5-2-6-13-26/h15-17H,1-14H2,(H,22,28)
InChIKeyFQCJROLSFTXEBD-UHFFFAOYSA-N
XLogP3.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide (CID 27545812) is 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide is O=C(CCC1CCCCC1)NCCn1ncc2c(N3CCCCC3)ncnc21.
What is the InChIKey of 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
The InChIKey is FQCJROLSFTXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c28-19(10-9-17-7-3-1-4-8-17)22-11-14-27-21-18(15-25-27)20(23-16-24-21)26-12-5-2-6-13-26/h15-17H,1-14H2,(H,22,28).
What are the key properties of 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide?
3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide has a molecular weight of 384.53 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 27545812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).