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

C17H15N7O2 — CID 58936272

IUPAC6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Oc3nccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12
InChIInChI=1S/C17H15N7O2/c25-16-11-4-3-10(7-13(11)22-24-16)26-17-18-6-5-14(20-17)19-15-8-12(21-23-15)9-1-2-9/h3-9H,1-2H2,(H2,22,24,25)(H2,18,19,20,21,23)
InChIKeyCDLPBMUNSQUSCL-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.78
Rot. Bonds5

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

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 58936272) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
PubChem CID58936272
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Oc3nccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12
InChIInChI=1S/C17H15N7O2/c25-16-11-4-3-10(7-13(11)22-24-16)26-17-18-6-5-14(20-17)19-15-8-12(21-23-15)9-1-2-9/h3-9H,1-2H2,(H2,22,24,25)(H2,18,19,20,21,23)
InChIKeyCDLPBMUNSQUSCL-UHFFFAOYSA-N
XLogP2.78
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (CID 58936272) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Oc3nccc(Nc4cc(C5CC5)[nH]n4)n3)ccc12.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is CDLPBMUNSQUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c25-16-11-4-3-10(7-13(11)22-24-16)26-17-18-6-5-14(20-17)19-15-8-12(21-23-15)9-1-2-9/h3-9H,1-2H2,(H2,22,24,25)(H2,18,19,20,21,23).
What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 349.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).