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

C24H18N8O2 — CID 58935929

IUPAC6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)cc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C24H18N8O2/c33-23-16-9-8-15(11-18(16)29-32-23)25-24-26-17(14-5-2-1-3-6-14)12-21(28-24)27-22-13-19(30-31-22)20-7-4-10-34-20/h1-13H,(H2,29,32,33)(H3,25,26,27,28,30,31)
InChIKeyDMCBJWZXEPLKNP-UHFFFAOYSA-N
MW450.46 g/mol
LogP4.78
Rot. Bonds6

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

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58935929) has the molecular formula C24H18N8O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID58935929
Molecular FormulaC24H18N8O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)cc(-c4ccccc4)n3)ccc12
InChIInChI=1S/C24H18N8O2/c33-23-16-9-8-15(11-18(16)29-32-23)25-24-26-17(14-5-2-1-3-6-14)12-21(28-24)27-22-13-19(30-31-22)20-7-4-10-34-20/h1-13H,(H2,29,32,33)(H3,25,26,27,28,30,31)
InChIKeyDMCBJWZXEPLKNP-UHFFFAOYSA-N
XLogP4.78
TPSA140.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 54.78
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]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 58935929) is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-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]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Nc3nc(Nc4cc(-c5ccco5)[nH]n4)cc(-c4ccccc4)n3)ccc12.
What is the InChIKey of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is DMCBJWZXEPLKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N8O2/c33-23-16-9-8-15(11-18(16)29-32-23)25-24-26-17(14-5-2-1-3-6-14)12-21(28-24)27-22-13-19(30-31-22)20-7-4-10-34-20/h1-13H,(H2,29,32,33)(H3,25,26,27,28,30,31).
What are the key properties of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 450.46 g/mol, XLogP of 4.78, 6 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]-6-phenylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).