4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine

C22H19N7O2S — CID 166738481

IUPAC4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
SMILESc1cc(-c2cc3nc(Nc4cc(-c5ccsc5)[nH]n4)nc(N4CCOCC4)c3o2)ccn1
InChIInChI=1S/C22H19N7O2S/c1-4-23-5-2-14(1)18-11-17-20(31-18)21(29-6-8-30-9-7-29)26-22(24-17)25-19-12-16(27-28-19)15-3-10-32-13-15/h1-5,10-13H,6-9H2,(H2,24,25,26,27,28)
InChIKeyRUKKKTFHPSLPFK-UHFFFAOYSA-N
MW445.51 g/mol
LogP4.32
Rot. Bonds5

About 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine

4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine (PubChem CID 166738481) has the molecular formula C22H19N7O2S and a molecular weight of 445.51 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
PubChem CID166738481
Molecular FormulaC22H19N7O2S
Molecular Weight445.51 g/mol
Exact Mass445.13
IUPAC Name4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine
SMILESc1cc(-c2cc3nc(Nc4cc(-c5ccsc5)[nH]n4)nc(N4CCOCC4)c3o2)ccn1
InChIInChI=1S/C22H19N7O2S/c1-4-23-5-2-14(1)18-11-17-20(31-18)21(29-6-8-30-9-7-29)26-22(24-17)25-19-12-16(27-28-19)15-3-10-32-13-15/h1-5,10-13H,6-9H2,(H2,24,25,26,27,28)
InChIKeyRUKKKTFHPSLPFK-UHFFFAOYSA-N
XLogP4.32
TPSA104.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine (CID 166738481) is 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine is c1cc(-c2cc3nc(Nc4cc(-c5ccsc5)[nH]n4)nc(N4CCOCC4)c3o2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine?
The InChIKey is RUKKKTFHPSLPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2S/c1-4-23-5-2-14(1)18-11-17-20(31-18)21(29-6-8-30-9-7-29)26-22(24-17)25-19-12-16(27-28-19)15-3-10-32-13-15/h1-5,10-13H,6-9H2,(H2,24,25,26,27,28).
What are the key properties of 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine?
4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine has a molecular weight of 445.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-pyridin-4-yl-N-(5-thiophen-3-yl-1H-pyrazol-3-yl)furo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 166738481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).