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

C23H17F3N8O — CID 58936119

IUPAC5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12
InChIInChI=1S/C23H17F3N8O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33)
InChIKeyNMXMKKDHCVGQGO-UHFFFAOYSA-N
MW478.44 g/mol
LogP4.74
Rot. Bonds5

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

5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 58936119) has the molecular formula C23H17F3N8O and a molecular weight of 478.44 g/mol. Its IUPAC name is 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
PubChem CID58936119
Molecular FormulaC23H17F3N8O
Molecular Weight478.44 g/mol
Exact Mass478.15
IUPAC Name5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
SMILESO=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12
InChIInChI=1S/C23H17F3N8O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33)
InChIKeyNMXMKKDHCVGQGO-UHFFFAOYSA-N
XLogP4.74
TPSA128.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 58936119) is 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccncc4)nc(Nc4cc(C5CC5)[nH]n4)n3)cc12.
What is the InChIKey of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
The InChIKey is NMXMKKDHCVGQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N8O/c24-23(25,26)15-8-19-14(21(35)34-32-19)7-13(15)18-9-16(12-3-5-27-6-4-12)28-22(29-18)30-20-10-17(31-33-20)11-1-2-11/h3-11H,1-2H2,(H2,32,34,35)(H2,28,29,30,31,33).
What are the key properties of 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?
5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 478.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-ylpyrimidin-4-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).