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

C23H18ClFN4O3S — CID 162678355

IUPAC3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H18ClFN4O3S/c24-22-19(2-1-10-26-22)21-18-8-3-14(23(30)27-16-9-11-33(31,32)13-16)12-20(18)29(28-21)17-6-4-15(25)5-7-17/h1-8,10,12,16H,9,11,13H2,(H,27,30)/t16-/m1/s1
InChIKeyYVQAPEIMUIMCMF-MRXNPFEDSA-N
MW484.94 g/mol
LogP3.80
Rot. Bonds4

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

3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 162678355) has the molecular formula C23H18ClFN4O3S and a molecular weight of 484.94 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID162678355
Molecular FormulaC23H18ClFN4O3S
Molecular Weight484.94 g/mol
Exact Mass484.08
IUPAC Name3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C23H18ClFN4O3S/c24-22-19(2-1-10-26-22)21-18-8-3-14(23(30)27-16-9-11-33(31,32)13-16)12-20(18)29(28-21)17-6-4-15(25)5-7-17/h1-8,10,12,16H,9,11,13H2,(H,27,30)/t16-/m1/s1
InChIKeyYVQAPEIMUIMCMF-MRXNPFEDSA-N
XLogP3.80
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide with MolForge

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxamide
CID 22663258
1-(4-Fluoro-phenyl)-1H-indazole-4-carboxylic acid (6-methanesulfonyl-pyridin-3-ylmethyl)-amide
CID 44469804
5-chloro-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978188
(1-(2-chlorophenyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)(1H-indol-6-yl)methanone
CID 44426954
5-[(3S)-5-amino-3-methyl-1,1-dioxo-1lambda6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 89419873
US9951086, Example 165
CID 118182667
US10947222, Example 41
CID 134521896
US10947222, Example 1
CID 134521913
US10947222, Example 47
CID 134521957
US11104690, Example 60
CID 134522051
US11104690, Example 32
CID 134522066
US11104690, Example 166-A
CID 134522120

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide (CID 162678355) is 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(-c3cccnc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is YVQAPEIMUIMCMF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H18ClFN4O3S/c24-22-19(2-1-10-26-22)21-18-8-3-14(23(30)27-16-9-11-33(31,32)13-16)12-20(18)29(28-21)17-6-4-15(25)5-7-17/h1-8,10,12,16H,9,11,13H2,(H,27,30)/t16-/m1/s1.
What are the key properties of 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 162678355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).