1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea

C16H25N7O — CID 71225882

IUPAC1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea
SMILESCCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H25N7O/c1-2-6-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-4-3-5-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
InChIKeyJASHDDQTMPPYAM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.84
Rot. Bonds6

About 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea

1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea (PubChem CID 71225882) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea
PubChem CID71225882
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea
SMILESCCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C16H25N7O/c1-2-6-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-4-3-5-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
InChIKeyJASHDDQTMPPYAM-UHFFFAOYSA-N
XLogP1.84
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea (CID 71225882) is 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea is CCCNC(=O)Nc1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea?
The InChIKey is JASHDDQTMPPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-2-6-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-4-3-5-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24).
What are the key properties of 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea?
1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea has a molecular weight of 331.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-propylurea is sourced from PubChem (CID 71225882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).