1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

C23H23FN6O — CID 25342698

IUPAC1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1N1CCOCC1)c1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O/c1-28(15-17-4-2-3-5-21(17)29-10-12-31-13-11-29)22-20-14-27-30(23(20)26-16-25-22)19-8-6-18(24)7-9-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyPCMSPNYGIMPXHJ-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.43
Rot. Bonds5

About 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine

1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 25342698) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID25342698
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(Cc1ccccc1N1CCOCC1)c1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C23H23FN6O/c1-28(15-17-4-2-3-5-21(17)29-10-12-31-13-11-29)22-20-14-27-30(23(20)26-16-25-22)19-8-6-18(24)7-9-19/h2-9,14,16H,10-13,15H2,1H3
InChIKeyPCMSPNYGIMPXHJ-UHFFFAOYSA-N
XLogP3.43
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine (CID 25342698) is 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is CN(Cc1ccccc1N1CCOCC1)c1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PCMSPNYGIMPXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-28(15-17-4-2-3-5-21(17)29-10-12-31-13-11-29)22-20-14-27-30(23(20)26-16-25-22)19-8-6-18(24)7-9-19/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine?
1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 418.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 25342698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).