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

C19H18N6OS — CID 66574510

IUPACN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1csc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1
InChIInChI=1S/C19H18N6OS/c1-2-16(27-11-1)18-22-15-12-20-24-17(15)19(23-18)21-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H,20,24)(H,21,22,23)
InChIKeyGDINKLYURCHHRP-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.66
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66574510) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID66574510
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESc1csc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1
InChIInChI=1S/C19H18N6OS/c1-2-16(27-11-1)18-22-15-12-20-24-17(15)19(23-18)21-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H,20,24)(H,21,22,23)
InChIKeyGDINKLYURCHHRP-UHFFFAOYSA-N
XLogP3.66
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.66
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-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 66574510) is N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is c1csc(-c2nc(Nc3ccc(N4CCOCC4)cc3)c3[nH]ncc3n2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is GDINKLYURCHHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-2-16(27-11-1)18-22-15-12-20-24-17(15)19(23-18)21-13-3-5-14(6-4-13)25-7-9-26-10-8-25/h1-6,11-12H,7-10H2,(H,20,24)(H,21,22,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 378.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66574510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).