4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C24H31N7O2 — CID 59686558

IUPAC4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C24H31N7O2/c32-23(25-10-11-30-12-14-33-15-13-30)18-6-8-20(9-7-18)28-24-26-16-19-17-27-31(22(19)29-24)21-4-2-1-3-5-21/h6-9,16-17,21H,1-5,10-15H2,(H,25,32)(H,26,28,29)
InChIKeyBYECJHOEPZNYSE-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.14
Rot. Bonds7

About 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 59686558) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID59686558
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1
InChIInChI=1S/C24H31N7O2/c32-23(25-10-11-30-12-14-33-15-13-30)18-6-8-20(9-7-18)28-24-26-16-19-17-27-31(22(19)29-24)21-4-2-1-3-5-21/h6-9,16-17,21H,1-5,10-15H2,(H,25,32)(H,26,28,29)
InChIKeyBYECJHOEPZNYSE-UHFFFAOYSA-N
XLogP3.14
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[(1-cycloheptylpyrazolo[3,4-d]pyrimidin-6-yl)amino]phenyl]-2-methylprop-1-en-1-ol
CID 143730565
1-cyclohexyl-N-[4-[[4-(2-nitrosoethyl)piperazin-1-yl]methyl]phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 143984675
2-(cyclopentylamino)-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109249721
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
1-cyclohexyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 3243473
1-cycloheptyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 24959348
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 53108652
1-cycloheptyl-6-[4-(dimethylsulfamoylamino)anilino]pyrazolo[3,4-d]pyrimidine
CID 24958986
N-[4-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686665

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 59686558) is 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1ccc(Nc2ncc3cnn(C4CCCCC4)c3n2)cc1.
What is the InChIKey of 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BYECJHOEPZNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c32-23(25-10-11-30-12-14-33-15-13-30)18-6-8-20(9-7-18)28-24-26-16-19-17-27-31(22(19)29-24)21-4-2-1-3-5-21/h6-9,16-17,21H,1-5,10-15H2,(H,25,32)(H,26,28,29).
What are the key properties of 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 449.56 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclohexylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 59686558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).