6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C21H23N7OS — CID 42808517

IUPAC6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccsc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1
InChIInChI=1S/C21H23N7OS/c22-19-17-18(15-6-13-30-14-15)24-21(23-7-8-27-9-11-29-12-10-27)25-20(17)26-28(19)16-4-2-1-3-5-16/h1-6,13-14H,7-12,22H2,(H,23,25,26)
InChIKeyYWJYHICRWWMQBL-UHFFFAOYSA-N
MW421.53 g/mol
LogP2.87
Rot. Bonds6

About 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine

6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42808517) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42808517
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESNc1c2c(-c3ccsc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1
InChIInChI=1S/C21H23N7OS/c22-19-17-18(15-6-13-30-14-15)24-21(23-7-8-27-9-11-29-12-10-27)25-20(17)26-28(19)16-4-2-1-3-5-16/h1-6,13-14H,7-12,22H2,(H,23,25,26)
InChIKeyYWJYHICRWWMQBL-UHFFFAOYSA-N
XLogP2.87
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808519
4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668004
4-(3-chloro-4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669370
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668955
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
2-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807899
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667600
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808508
4-(3-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668934
4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
4-(3-chlorophenyl)-2-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668656
4-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667514

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42808517) is 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine is Nc1c2c(-c3ccsc3)nc(NCCN3CCOCC3)nc2nn1-c1ccccc1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is YWJYHICRWWMQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c22-19-17-18(15-6-13-30-14-15)24-21(23-7-8-27-9-11-29-12-10-27)25-20(17)26-28(19)16-4-2-1-3-5-16/h1-6,13-14H,7-12,22H2,(H,23,25,26).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 421.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-thiophen-3-ylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).