5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one

C17H13FN4O2 — CID 139391861

IUPAC5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3cc(-c4ccc(O)c(F)c4)[nH]n3)ccc2N1
InChIInChI=1S/C17H13FN4O2/c18-12-6-9(1-4-15(12)23)14-8-16(22-21-14)19-11-2-3-13-10(5-11)7-17(24)20-13/h1-6,8,23H,7H2,(H,20,24)(H2,19,21,22)
InChIKeyFUFJJRBBUSPEQN-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.16
Rot. Bonds3

About 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one

5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one (PubChem CID 139391861) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one
PubChem CID139391861
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(Nc3cc(-c4ccc(O)c(F)c4)[nH]n3)ccc2N1
InChIInChI=1S/C17H13FN4O2/c18-12-6-9(1-4-15(12)23)14-8-16(22-21-14)19-11-2-3-13-10(5-11)7-17(24)20-13/h1-6,8,23H,7H2,(H,20,24)(H2,19,21,22)
InChIKeyFUFJJRBBUSPEQN-UHFFFAOYSA-N
XLogP3.16
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one (CID 139391861) is 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one is O=C1Cc2cc(Nc3cc(-c4ccc(O)c(F)c4)[nH]n3)ccc2N1.
What is the InChIKey of 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one?
The InChIKey is FUFJJRBBUSPEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-6-9(1-4-15(12)23)14-8-16(22-21-14)19-11-2-3-13-10(5-11)7-17(24)20-13/h1-6,8,23H,7H2,(H,20,24)(H2,19,21,22).
What are the key properties of 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one?
5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one has a molecular weight of 324.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 139391861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).