6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

C22H16N8O2 — CID 57498031

IUPAC6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C22H16N8O2/c31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18/h1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29)
InChIKeyAXYOTEGXGALVPG-UHFFFAOYSA-N
MW424.42 g/mol
LogP4.27
Rot. Bonds5

About 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 57498031) has the molecular formula C22H16N8O2 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID57498031
Molecular FormulaC22H16N8O2
Molecular Weight424.42 g/mol
Exact Mass424.14
IUPAC Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12
InChIInChI=1S/C22H16N8O2/c31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18/h1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29)
InChIKeyAXYOTEGXGALVPG-UHFFFAOYSA-N
XLogP4.27
TPSA140.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 54.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 57498031) is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)c4ccccc4n3)ccc12.
What is the InChIKey of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is AXYOTEGXGALVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8O2/c31-21-14-8-7-12(10-16(14)27-30-21)23-22-24-15-5-2-1-4-13(15)20(26-22)25-19-11-17(28-29-19)18-6-3-9-32-18/h1-11H,(H2,27,30,31)(H3,23,24,25,26,28,29).
What are the key properties of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 424.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 57498031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).