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

C19H29N7O — CID 71223407

IUPAC1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H29N7O/c27-19(23-15-7-3-1-4-8-15)24-17-16-13-22-26(18(16)21-14-20-17)12-11-25-9-5-2-6-10-25/h13-15H,1-12H2,(H2,20,21,23,24,27)
InChIKeyOTRIMYIMUTYJSV-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.77
Rot. Bonds5

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

1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (PubChem CID 71223407) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
PubChem CID71223407
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea
SMILESO=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H29N7O/c27-19(23-15-7-3-1-4-8-15)24-17-16-13-22-26(18(16)21-14-20-17)12-11-25-9-5-2-6-10-25/h13-15H,1-12H2,(H2,20,21,23,24,27)
InChIKeyOTRIMYIMUTYJSV-UHFFFAOYSA-N
XLogP2.77
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-butylurea hydrochloride
CID 71222835
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
1-Cyclopentyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223206
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71223208
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-tert-butylurea hydrochloride
CID 71223250
N-(1-(2-(Piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223252
1-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-ethylurea hydrochloride
CID 71223262
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-isopropylurea hydrochloride
CID 71223296
1-Adamanthyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223298
N-(1-(3-(azepan-1-yl)propyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223397

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea (CID 71223407) is 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea is O=C(Nc1ncnc2c1cnn2CCN1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
The InChIKey is OTRIMYIMUTYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c27-19(23-15-7-3-1-4-8-15)24-17-16-13-22-26(18(16)21-14-20-17)12-11-25-9-5-2-6-10-25/h13-15H,1-12H2,(H2,20,21,23,24,27).
What are the key properties of 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea has a molecular weight of 371.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea is sourced from PubChem (CID 71223407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).