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

C19H16N8O2 — CID 58936136

IUPAC6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C19H16N8O2/c1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28/h2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26)
InChIKeyVWEBUCUFZRVEJE-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.42
Rot. Bonds5

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

6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58936136) has the molecular formula C19H16N8O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID58936136
Molecular FormulaC19H16N8O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C19H16N8O2/c1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28/h2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26)
InChIKeyVWEBUCUFZRVEJE-UHFFFAOYSA-N
XLogP3.42
TPSA140.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 58936136) is 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-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-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.
What is the InChIKey of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is VWEBUCUFZRVEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O2/c1-10-7-16(22-17-9-14(25-26-17)15-3-2-6-29-15)23-19(20-10)21-11-4-5-12-13(8-11)24-27-18(12)28/h2-9H,1H3,(H2,24,27,28)(H3,20,21,22,23,25,26).
What are the key properties of 6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 388.39 g/mol, XLogP of 3.42, 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]-6-methylpyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).