N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C22H25N7OS — CID 152951354

IUPACN-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1cc(CCc2ccsc2)nc(-c2[nH]nc3nc(NCCN4CCOCC4)ncc23)c1
InChIInChI=1S/C22H25N7OS/c1-2-17(5-4-16-6-13-31-15-16)25-19(3-1)20-18-14-24-22(26-21(18)28-27-20)23-7-8-29-9-11-30-12-10-29/h1-3,6,13-15H,4-5,7-12H2,(H2,23,24,26,27,28)
InChIKeyUOTQPPXGVVSGAT-UHFFFAOYSA-N
MW435.56 g/mol
LogP3.01
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine

N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 152951354) has the molecular formula C22H25N7OS and a molecular weight of 435.56 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID152951354
Molecular FormulaC22H25N7OS
Molecular Weight435.56 g/mol
Exact Mass435.18
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESc1cc(CCc2ccsc2)nc(-c2[nH]nc3nc(NCCN4CCOCC4)ncc23)c1
InChIInChI=1S/C22H25N7OS/c1-2-17(5-4-16-6-13-31-15-16)25-19(3-1)20-18-14-24-22(26-21(18)28-27-20)23-7-8-29-9-11-30-12-10-29/h1-3,6,13-15H,4-5,7-12H2,(H2,23,24,26,27,28)
InChIKeyUOTQPPXGVVSGAT-UHFFFAOYSA-N
XLogP3.01
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-[3-(2-phenylethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 147587336
3-[2-(benzylamino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 57413712
3-[2-[2-(4-chlorophenyl)ethyl]pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 160943944
5-methyl-N-(2-morpholin-4-ylethyl)-3-[6-(thiophen-3-ylmethylamino)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-5-ium-6-amine
CID 123647513
3-[(4-amino-3-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 69154693
3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 57414383
3-[[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-(2-trimethylsilylethoxy)methyl]-N-(2-morpholin-4-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 70558908
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
4-(5-methyl-1H-pyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 59564852
3-[6-[(3-chlorophenyl)methylamino]-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-4-(2-trimethylsilylethoxymethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 70558907
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 152951354) is N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine is c1cc(CCc2ccsc2)nc(-c2[nH]nc3nc(NCCN4CCOCC4)ncc23)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is UOTQPPXGVVSGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7OS/c1-2-17(5-4-16-6-13-31-15-16)25-19(3-1)20-18-14-24-22(26-21(18)28-27-20)23-7-8-29-9-11-30-12-10-29/h1-3,6,13-15H,4-5,7-12H2,(H2,23,24,26,27,28).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 435.56 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[6-(2-thiophen-3-ylethyl)-2-pyridinyl]-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 152951354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).