2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide

C20H19BrN4OS — CID 55602413

IUPAC2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4OS/c1-25-18-6-2-5-17(16(18)12-23-25)24-19(26)15-4-3-11-22-20(15)27-14-9-7-13(21)8-10-14/h3-4,7-12,17H,2,5-6H2,1H3,(H,24,26)
InChIKeyWKFJGYOVRPSYIG-UHFFFAOYSA-N
MW443.37 g/mol
LogP4.54
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide (PubChem CID 55602413) has the molecular formula C20H19BrN4OS and a molecular weight of 443.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
PubChem CID55602413
Molecular FormulaC20H19BrN4OS
Molecular Weight443.37 g/mol
Exact Mass442.05
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C20H19BrN4OS/c1-25-18-6-2-5-17(16(18)12-23-25)24-19(26)15-4-3-11-22-20(15)27-14-9-7-13(21)8-10-14/h3-4,7-12,17H,2,5-6H2,1H3,(H,24,26)
InChIKeyWKFJGYOVRPSYIG-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
2-amino-4-bromo-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 79704714
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 154774275
2,5-dimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]furan-3-carboxamide
CID 94187673
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 62233294

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide (CID 55602413) is 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide is Cn1ncc2c1CCCC2NC(=O)c1cccnc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The InChIKey is WKFJGYOVRPSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4OS/c1-25-18-6-2-5-17(16(18)12-23-25)24-19(26)15-4-3-11-22-20(15)27-14-9-7-13(21)8-10-14/h3-4,7-12,17H,2,5-6H2,1H3,(H,24,26).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 55602413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).