2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide

C21H22BrN5OS — CID 154774275

IUPAC2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H22BrN5OS/c1-26-13-9-16(10-14-26)27-19(8-12-24-27)25-20(28)18-3-2-11-23-21(18)29-17-6-4-15(22)5-7-17/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyPDFCTCOLYPVZJZ-UHFFFAOYSA-N
MW472.41 g/mol
LogP4.71
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 154774275) has the molecular formula C21H22BrN5OS and a molecular weight of 472.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID154774275
Molecular FormulaC21H22BrN5OS
Molecular Weight472.41 g/mol
Exact Mass471.07
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCN1CCC(n2nccc2NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H22BrN5OS/c1-26-13-9-16(10-14-26)27-19(8-12-24-27)25-20(28)18-3-2-11-23-21(18)29-17-6-4-15(22)5-7-17/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyPDFCTCOLYPVZJZ-UHFFFAOYSA-N
XLogP4.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
2-(4-bromophenyl)sulfanyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 55602413
[2-(4-bromophenyl)sulfanyl-3-pyridinyl]-(4-ethoxypiperidin-1-yl)methanone
CID 55976720
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 134709113
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 55330294
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
2-(4-bromophenyl)sulfanyl-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 86968197
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 8891326
2-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 78854403
2-chloro-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24793136

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide (CID 154774275) is 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide is CN1CCC(n2nccc2NC(=O)c2cccnc2Sc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is PDFCTCOLYPVZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5OS/c1-26-13-9-16(10-14-26)27-19(8-12-24-27)25-20(28)18-3-2-11-23-21(18)29-17-6-4-15(22)5-7-17/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,25,28).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 472.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154774275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).