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

C20H17N7O3 — CID 58936196

IUPAC5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1
InChIInChI=1S/C20H17N7O3/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26)
InChIKeyFDWVKKJEOHOHKI-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.26
Rot. Bonds6

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

5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936196) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
PubChem CID58936196
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1
InChIInChI=1S/C20H17N7O3/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26)
InChIKeyFDWVKKJEOHOHKI-UHFFFAOYSA-N
XLogP3.26
TPSA137.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one (CID 58936196) is 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(COc2ccc3[nH][nH]c(=O)c3c2)n1.
What is the InChIKey of 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
The InChIKey is FDWVKKJEOHOHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-11-7-17(22-18-9-15(25-26-18)16-3-2-6-29-16)23-19(21-11)10-30-12-4-5-14-13(8-12)20(28)27-24-14/h2-9H,10H2,1H3,(H2,24,27,28)(H2,21,22,23,25,26).
What are the key properties of 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one?
5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one has a molecular weight of 403.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]methoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).