6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

C17H18N8O — CID 58935949

IUPAC6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C17H18N8O/c1-3-10-8-14(20-15-6-9(2)22-24-15)21-17(18-10)19-11-4-5-12-13(7-11)23-25-16(12)26/h4-8H,3H2,1-2H3,(H2,23,25,26)(H3,18,19,20,21,22,24)
InChIKeyCSYXYDLNGPQXCU-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.73
Rot. Bonds5

About 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one

6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58935949) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID58935949
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1
InChIInChI=1S/C17H18N8O/c1-3-10-8-14(20-15-6-9(2)22-24-15)21-17(18-10)19-11-4-5-12-13(7-11)23-25-16(12)26/h4-8H,3H2,1-2H3,(H2,23,25,26)(H3,18,19,20,21,22,24)
InChIKeyCSYXYDLNGPQXCU-UHFFFAOYSA-N
XLogP2.73
TPSA127.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one (CID 58935949) is 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is CCc1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3c(=O)[nH][nH]c3c2)n1.
What is the InChIKey of 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is CSYXYDLNGPQXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-3-10-8-14(20-15-6-9(2)22-24-15)21-17(18-10)19-11-4-5-12-13(7-11)23-25-16(12)26/h4-8H,3H2,1-2H3,(H2,23,25,26)(H3,18,19,20,21,22,24).
What are the key properties of 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one?
6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 350.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).