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

C18H17N7O2 — CID 58935933

IUPAC6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(Oc2ccc3c(=O)[nH][nH]c3c2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N7O2/c1-9-8-19-18(27-11-4-5-12-14(6-11)23-25-17(12)26)21-16(9)20-15-7-13(22-24-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24)
InChIKeyVGBNUANKAXNAQX-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.09
Rot. Bonds5

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

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 58935933) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
PubChem CID58935933
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(Oc2ccc3c(=O)[nH][nH]c3c2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N7O2/c1-9-8-19-18(27-11-4-5-12-14(6-11)23-25-17(12)26)21-16(9)20-15-7-13(22-24-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24)
InChIKeyVGBNUANKAXNAQX-UHFFFAOYSA-N
XLogP3.09
TPSA124.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.09
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]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (CID 58935933) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(Oc2ccc3c(=O)[nH][nH]c3c2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is VGBNUANKAXNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-9-8-19-18(27-11-4-5-12-14(6-11)23-25-17(12)26)21-16(9)20-15-7-13(22-24-15)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,23,25,26)(H2,19,20,21,22,24).
What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 363.38 g/mol, XLogP of 3.09, 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]-5-methylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).