N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C19H17FN6OS — CID 71138239

IUPACN-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)ccc1N1CCOCC1
InChIInChI=1S/C19H17FN6OS/c20-13-10-12(3-4-15(13)26-5-7-27-8-6-26)22-19-17-14(11-21-25-17)23-18(24-19)16-2-1-9-28-16/h1-4,9-11H,5-8H2,(H,21,25)(H,22,23,24)
InChIKeyWNJKUNVHOARKPY-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.80
Rot. Bonds4

About N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 71138239) has the molecular formula C19H17FN6OS and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID71138239
Molecular FormulaC19H17FN6OS
Molecular Weight396.45 g/mol
Exact Mass396.12
IUPAC NameN-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESFc1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)ccc1N1CCOCC1
InChIInChI=1S/C19H17FN6OS/c20-13-10-12(3-4-15(13)26-5-7-27-8-6-26)22-19-17-14(11-21-25-17)23-18(24-19)16-2-1-9-28-16/h1-4,9-11H,5-8H2,(H,21,25)(H,22,23,24)
InChIKeyWNJKUNVHOARKPY-UHFFFAOYSA-N
XLogP3.80
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 71138239) is N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is Fc1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)ccc1N1CCOCC1.
What is the InChIKey of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WNJKUNVHOARKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6OS/c20-13-10-12(3-4-15(13)26-5-7-27-8-6-26)22-19-17-14(11-21-25-17)23-18(24-19)16-2-1-9-28-16/h1-4,9-11H,5-8H2,(H,21,25)(H,22,23,24).
What are the key properties of N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 396.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 71138239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).