5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C23H18ClFN4O2 — CID 42582120

IUPAC5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H18ClFN4O2/c1-13-22-20(27-29(23(22)31)17-5-3-16(25)4-6-17)11-21(30)28(13)9-8-14-12-26-19-7-2-15(24)10-18(14)19/h2-7,10-12,26-27H,8-9H2,1H3
InChIKeyFCWVSKNIHWBTNI-UHFFFAOYSA-N
MW436.87 g/mol
LogP4.31
Rot. Bonds4

About 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 42582120) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID42582120
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H18ClFN4O2/c1-13-22-20(27-29(23(22)31)17-5-3-16(25)4-6-17)11-21(30)28(13)9-8-14-12-26-19-7-2-15(24)10-18(14)19/h2-7,10-12,26-27H,8-9H2,1H3
InChIKeyFCWVSKNIHWBTNI-UHFFFAOYSA-N
XLogP4.31
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42582267
2-(1,3-benzothiazol-3-ium-2-yl)-5-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42581707
2-(4-fluorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 42537056
5-butyl-4-methyl-2-phenyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 5296574
2,5-bis(3-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 66495077
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
3-[2-(5-chloro-1H-indol-3-yl)ethyl]-N-methyl-4-phenyl-1,3-thiazol-2-imine
CID 4874426
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 42582120) is 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccc(F)cc3)[nH]c2cc(=O)n1CCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is FCWVSKNIHWBTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-13-22-20(27-29(23(22)31)17-5-3-16(25)4-6-17)11-21(30)28(13)9-8-14-12-26-19-7-2-15(24)10-18(14)19/h2-7,10-12,26-27H,8-9H2,1H3.
What are the key properties of 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 436.87 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 42582120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).