3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

C24H19ClFN3O3S — CID 134534663

IUPAC3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc2c(-c3cc(Cl)ccn3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H19ClFN3O3S/c25-16-7-9-27-22(12-16)21-13-29(19-4-2-17(26)3-5-19)23-11-15(1-6-20(21)23)24(30)28-18-8-10-33(31,32)14-18/h1-7,9,11-13,18H,8,10,14H2,(H,28,30)
InChIKeyIVWAMUTVLBWPBD-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.40
Rot. Bonds4

About 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide

3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (PubChem CID 134534663) has the molecular formula C24H19ClFN3O3S and a molecular weight of 483.95 g/mol. Its IUPAC name is 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
PubChem CID134534663
Molecular FormulaC24H19ClFN3O3S
Molecular Weight483.95 g/mol
Exact Mass483.08
IUPAC Name3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc2c(-c3cc(Cl)ccn3)cn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H19ClFN3O3S/c25-16-7-9-27-22(12-16)21-13-29(19-4-2-17(26)3-5-19)23-11-15(1-6-20(21)23)24(30)28-18-8-10-33(31,32)14-18/h1-7,9,11-13,18H,8,10,14H2,(H,28,30)
InChIKeyIVWAMUTVLBWPBD-UHFFFAOYSA-N
XLogP4.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The IUPAC name of 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide (CID 134534663) is 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide.
What is the SMILES notation for 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The canonical SMILES for 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc2c(-c3cc(Cl)ccn3)cn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
The InChIKey is IVWAMUTVLBWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3S/c25-16-7-9-27-22(12-16)21-13-29(19-4-2-17(26)3-5-19)23-11-15(1-6-20(21)23)24(30)28-18-8-10-33(31,32)14-18/h1-7,9,11-13,18H,8,10,14H2,(H,28,30).
What are the key properties of 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide?
3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-pyridinyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indole-6-carboxamide is sourced from PubChem (CID 134534663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).