N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide

C20H32N6O — CID 71223009

IUPACN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)N(CCn1ncc2c(NC(=O)C3CCCCC3)ncnc21)C(C)C
InChIInChI=1S/C20H32N6O/c1-14(2)25(15(3)4)10-11-26-19-17(12-23-26)18(21-13-22-19)24-20(27)16-8-6-5-7-9-16/h12-16H,5-11H2,1-4H3,(H,21,22,24,27)
InChIKeyWYNCFPFQQUMTQZ-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.46
Rot. Bonds7

About N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide

N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide (PubChem CID 71223009) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
PubChem CID71223009
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC NameN-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide
SMILESCC(C)N(CCn1ncc2c(NC(=O)C3CCCCC3)ncnc21)C(C)C
InChIInChI=1S/C20H32N6O/c1-14(2)25(15(3)4)10-11-26-19-17(12-23-26)18(21-13-22-19)24-20(27)16-8-6-5-7-9-16/h12-16H,5-11H2,1-4H3,(H,21,22,24,27)
InChIKeyWYNCFPFQQUMTQZ-UHFFFAOYSA-N
XLogP3.46
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222985
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclohexanecarboxamide maleate
CID 71222995
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223000
N-(1-(2-(Azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 71223095
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4,4-difluorocyclohexanecarbox-amide maleate
CID 71223100
N-(1-(2-(Diisopropylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide hydrochloride
CID 71223119
N-(1-(4-(azepan-1-yl)butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide maleate
CID 71223161
N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)cyclopentanecarboxamide maleate
CID 71223185
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2,2,3,3-tetramethylcyclopropane-carboxamide citrate
CID 71223204
N-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)pivalamide
CID 71223208
N-(1-[2-(Piperidin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-adamantylcarboxamide maleate
CID 71223247
1-(1-(2-(azepan-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-tert-butylurea hydrochloride
CID 71223250

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide (CID 71223009) is N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide is CC(C)N(CCn1ncc2c(NC(=O)C3CCCCC3)ncnc21)C(C)C.
What is the InChIKey of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
The InChIKey is WYNCFPFQQUMTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-14(2)25(15(3)4)10-11-26-19-17(12-23-26)18(21-13-22-19)24-20(27)16-8-6-5-7-9-16/h12-16H,5-11H2,1-4H3,(H,21,22,24,27).
What are the key properties of N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide?
N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide has a molecular weight of 372.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[di(propan-2-yl)amino]ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 71223009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).