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

C30H25FN4O2 — CID 1494838

IUPAC1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C30H25FN4O2/c1-20-29-27(17-28(36)33(20)16-15-22-18-32-26-10-6-5-9-25(22)26)34(19-21-11-13-23(31)14-12-21)35(30(29)37)24-7-3-2-4-8-24/h2-14,17-18,32H,15-16,19H2,1H3
InChIKeyGQGQOPNIMHBAOH-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.17
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 1494838) has the molecular formula C30H25FN4O2 and a molecular weight of 492.55 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID1494838
Molecular FormulaC30H25FN4O2
Molecular Weight492.55 g/mol
Exact Mass492.20
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCc1c[nH]c2ccccc12
InChIInChI=1S/C30H25FN4O2/c1-20-29-27(17-28(36)33(20)16-15-22-18-32-26-10-6-5-9-25(22)26)34(19-21-11-13-23(31)14-12-21)35(30(29)37)24-7-3-2-4-8-24/h2-14,17-18,32H,15-16,19H2,1H3
InChIKeyGQGQOPNIMHBAOH-UHFFFAOYSA-N
XLogP5.17
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione (CID 1494838) is 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(-c3ccccc3)n(Cc3ccc(F)cc3)c2cc(=O)n1CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is GQGQOPNIMHBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O2/c1-20-29-27(17-28(36)33(20)16-15-22-18-32-26-10-6-5-9-25(22)26)34(19-21-11-13-23(31)14-12-21)35(30(29)37)24-7-3-2-4-8-24/h2-14,17-18,32H,15-16,19H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione?
1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 492.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-phenylpyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 1494838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).