N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide

C23H19FN4O3S — CID 162678354

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN4O3S/c24-17-4-6-19(7-5-17)28-21-12-15(23(29)26-18-9-11-32(30,31)14-18)3-8-20(21)22(27-28)16-2-1-10-25-13-16/h1-8,10,12-13,18H,9,11,14H2,(H,26,29)/t18-/m1/s1
InChIKeyGNADROMXSJGMLO-GOSISDBHSA-N
MW450.50 g/mol
LogP3.14
Rot. Bonds4

About N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide

N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide (PubChem CID 162678354) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide
PubChem CID162678354
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H19FN4O3S/c24-17-4-6-19(7-5-17)28-21-12-15(23(29)26-18-9-11-32(30,31)14-18)3-8-20(21)22(27-28)16-2-1-10-25-13-16/h1-8,10,12-13,18H,9,11,14H2,(H,26,29)/t18-/m1/s1
InChIKeyGNADROMXSJGMLO-GOSISDBHSA-N
XLogP3.14
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide (CID 162678354) is N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide?
The InChIKey is GNADROMXSJGMLO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c24-17-4-6-19(7-5-17)28-21-12-15(23(29)26-18-9-11-32(30,31)14-18)3-8-20(21)22(27-28)16-2-1-10-25-13-16/h1-8,10,12-13,18H,9,11,14H2,(H,26,29)/t18-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)-3-pyridin-3-ylindazole-6-carboxamide is sourced from PubChem (CID 162678354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).