5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione

C13H9ClFN3O2 — CID 82866233

IUPAC5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione
SMILESCn1ccc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)n1
InChIInChI=1S/C13H9ClFN3O2/c1-17-3-2-7(16-17)6-18-11-5-10(15)9(14)4-8(11)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyPCSDRFOOCBFEAH-UHFFFAOYSA-N
MW293.69 g/mol
LogP1.94
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione

5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione (PubChem CID 82866233) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione
PubChem CID82866233
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione
SMILESCn1ccc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)n1
InChIInChI=1S/C13H9ClFN3O2/c1-17-3-2-7(16-17)6-18-11-5-10(15)9(14)4-8(11)12(19)13(18)20/h2-5H,6H2,1H3
InChIKeyPCSDRFOOCBFEAH-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251556
5-chloro-N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 57389636
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576451
1-(2,6-difluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)indoline-2,3-dione
CID 44251555
5-Chloro-1-[[1-[2-(2,3-dioxoindol-1-yl)ethyl]triazol-4-yl]methyl]indole-2,3-dione
CID 70682355
1-[[1-[2-(5-Chloro-2,3-dioxoindol-1-yl)ethyl]triazol-4-yl]methyl]-5-methylindole-2,3-dione
CID 70684441
5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-[4-[5-methyl-4-(4,4,4-trifluorobutanoyl)pyrazol-1-yl]phenyl]indole-3-carboxamide
CID 118711194
(4-Chloro-2-methylpyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 660340
1-[2-[4-[(5-Chloro-2,3-dioxoindol-1-yl)methyl]triazol-1-yl]ethyl]-5-fluoroindole-2,3-dione
CID 70686581
5-chloro-1-[[1-[(3S,4R)-2-oxo-1-phenyl-4-[(E)-2-phenylethenyl]azetidin-3-yl]triazol-4-yl]methyl]indole-2,3-dione
CID 72197507
5-chloro-1-[[1-[(3S,4R)-1-(4-chlorophenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]triazol-4-yl]methyl]indole-2,3-dione
CID 72197511
(5-Chloro-2-fluorophenyl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 53623241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione (CID 82866233) is 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione is Cn1ccc(CN2C(=O)C(=O)c3cc(Cl)c(F)cc32)n1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is PCSDRFOOCBFEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-17-3-2-7(16-17)6-18-11-5-10(15)9(14)4-8(11)12(19)13(18)20/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione?
5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 293.69 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(1-methylpyrazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 82866233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).