N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C22H24N6OS — CID 86934746

IUPACN-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(C(CNc2ncnc3c2cnn3-c2ccccc2)c2cccs2)CCO1
InChIInChI=1S/C22H24N6OS/c1-16-14-27(9-10-29-16)19(20-8-5-11-30-20)13-23-21-18-12-26-28(22(18)25-15-24-21)17-6-3-2-4-7-17/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25)
InChIKeyABFIHOOHZHBOES-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.75
Rot. Bonds6

About N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86934746) has the molecular formula C22H24N6OS and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86934746
Molecular FormulaC22H24N6OS
Molecular Weight420.54 g/mol
Exact Mass420.17
IUPAC NameN-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC1CN(C(CNc2ncnc3c2cnn3-c2ccccc2)c2cccs2)CCO1
InChIInChI=1S/C22H24N6OS/c1-16-14-27(9-10-29-16)19(20-8-5-11-30-20)13-23-21-18-12-26-28(22(18)25-15-24-21)17-6-3-2-4-7-17/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25)
InChIKeyABFIHOOHZHBOES-UHFFFAOYSA-N
XLogP3.75
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 98774946
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17393784
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 31882277
4-methyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]pyrimidin-2-amine
CID 95773118
1-cyclopentyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 133306905
6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]pyridine-2-carbonitrile
CID 122132155
[5-chloro-6-[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294989
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133386569
4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-2-thiophen-2-ylmorpholine
CID 133363467
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
(2S)-2-[(2R)-2-methylmorpholin-4-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 95767303
propan-2-yl 2-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoate
CID 133325485

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86934746) is N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CC1CN(C(CNc2ncnc3c2cnn3-c2ccccc2)c2cccs2)CCO1.
What is the InChIKey of N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ABFIHOOHZHBOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6OS/c1-16-14-27(9-10-29-16)19(20-8-5-11-30-20)13-23-21-18-12-26-28(22(18)25-15-24-21)17-6-3-2-4-7-17/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H,23,24,25).
What are the key properties of N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 420.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86934746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).