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

C21H22N8O3 — CID 58936048

IUPAC6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C21H22N8O3/c30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12/h3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27)
InChIKeyBMQVYCVFAZHMHJ-UHFFFAOYSA-N
MW434.46 g/mol
LogP2.62
Rot. Bonds6

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

6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (PubChem CID 58936048) has the molecular formula C21H22N8O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
PubChem CID58936048
Molecular FormulaC21H22N8O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C21H22N8O3/c30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12/h3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27)
InChIKeyBMQVYCVFAZHMHJ-UHFFFAOYSA-N
XLogP2.62
TPSA136.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-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-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one (CID 58936048) is 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(Oc3nc(Nc4cc(C5CC5)[nH]n4)cc(N4CCOCC4)n3)ccc12.
What is the InChIKey of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is BMQVYCVFAZHMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O3/c30-20-14-4-3-13(9-16(14)26-28-20)32-21-23-17(11-19(24-21)29-5-7-31-8-6-29)22-18-10-15(25-27-18)12-1-2-12/h3-4,9-12H,1-2,5-8H2,(H2,26,28,30)(H2,22,23,24,25,27).
What are the key properties of 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one?
6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 434.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-morpholin-4-ylpyrimidin-2-yl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).