1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide

C24H20F2N4O3S — CID 162678371

IUPAC1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESC[C@@]1(NC(=O)c2ccc3c(-c4cccnc4F)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C24H20F2N4O3S/c1-24(10-12-34(32,33)14-24)28-23(31)15-4-9-18-20(13-15)30(17-7-5-16(25)6-8-17)29-21(18)19-3-2-11-27-22(19)26/h2-9,11,13H,10,12,14H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyOMOSZDKXYCJSQI-XMMPIXPASA-N
MW482.51 g/mol
LogP3.67
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide

1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (PubChem CID 162678371) has the molecular formula C24H20F2N4O3S and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
PubChem CID162678371
Molecular FormulaC24H20F2N4O3S
Molecular Weight482.51 g/mol
Exact Mass482.12
IUPAC Name1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide
SMILESC[C@@]1(NC(=O)c2ccc3c(-c4cccnc4F)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C24H20F2N4O3S/c1-24(10-12-34(32,33)14-24)28-23(31)15-4-9-18-20(13-15)30(17-7-5-16(25)6-8-17)29-21(18)19-3-2-11-27-22(19)26/h2-9,11,13H,10,12,14H2,1H3,(H,28,31)/t24-/m1/s1
InChIKeyOMOSZDKXYCJSQI-XMMPIXPASA-N
XLogP3.67
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide (CID 162678371) is 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is C[C@@]1(NC(=O)c2ccc3c(-c4cccnc4F)nn(-c4ccc(F)cc4)c3c2)CCS(=O)(=O)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
The InChIKey is OMOSZDKXYCJSQI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H20F2N4O3S/c1-24(10-12-34(32,33)14-24)28-23(31)15-4-9-18-20(13-15)30(17-7-5-16(25)6-8-17)29-21(18)19-3-2-11-27-22(19)26/h2-9,11,13H,10,12,14H2,1H3,(H,28,31)/t24-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide?
1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-fluoro-3-pyridinyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]indazole-6-carboxamide is sourced from PubChem (CID 162678371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).