2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

C25H29N7O2 — CID 42668212

IUPAC2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccccc1-c1nc(NCCN2CCOCC2)nc2nn(Cc3ccccc3)c(N)c12
InChIInChI=1S/C25H29N7O2/c1-33-20-10-6-5-9-19(20)22-21-23(26)32(17-18-7-3-2-4-8-18)30-24(21)29-25(28-22)27-11-12-31-13-15-34-16-14-31/h2-10H,11-17,26H2,1H3,(H,27,29,30)
InChIKeySFXCLXWFYKQOGZ-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.88
Rot. Bonds8

About 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine

2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42668212) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42668212
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCOc1ccccc1-c1nc(NCCN2CCOCC2)nc2nn(Cc3ccccc3)c(N)c12
InChIInChI=1S/C25H29N7O2/c1-33-20-10-6-5-9-19(20)22-21-23(26)32(17-18-7-3-2-4-8-18)30-24(21)29-25(28-22)27-11-12-31-13-15-34-16-14-31/h2-10H,11-17,26H2,1H3,(H,27,29,30)
InChIKeySFXCLXWFYKQOGZ-UHFFFAOYSA-N
XLogP2.88
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2-fluorophenyl)-2-methyl-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668546
2-benzyl-4-(4-chlorophenyl)-6-N-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668016
4-(2,3-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42669189
4-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668955
4-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668004
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-(3-phenoxyphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42808508
4-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667514
6-N,2-dibenzyl-4-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668411
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42667600
2-(2,4-dichlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807899
2-benzyl-4-(2-fluoro-4-methoxyphenyl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807732
6-N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-2-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42668202

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42668212) is 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is COc1ccccc1-c1nc(NCCN2CCOCC2)nc2nn(Cc3ccccc3)c(N)c12.
What is the InChIKey of 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is SFXCLXWFYKQOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-33-20-10-6-5-9-19(20)22-21-23(26)32(17-18-7-3-2-4-8-18)30-24(21)29-25(28-22)27-11-12-31-13-15-34-16-14-31/h2-10H,11-17,26H2,1H3,(H,27,29,30).
What are the key properties of 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 459.55 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(2-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42668212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).